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name Structure Reference Source Properties Activities Metabolism

Oxytocin

AlkaPlorer ID: AK020629

Synonym: None

IUPAC Name: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(O)=N[C@@H](CC(C)C)C(O)=NCC(=N)O)N=C(O)[C@H](CC(=N)O)N=C(O)[C@H](CCC(=N)O)N=C1O

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InChI: InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1

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InChIKey: XNOPRXBHLZRZKH-DSZYJQQASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Homo sapiens Homo Hominidae Primates Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 1007.207

TPSA？: 426.9300000000001

MolLogP？: 5.423410000000008

Number of H-Donors: 15

Number of H-Acceptors: 15

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Anura Anura Activity 2.3 10'-9M 10.1021/jm00224a025
Cryptosporidium parvum Cryptosporidium parvum IC50 nan None 10.1016/j.bmc.2010.01.068
Entamoeba histolytica Entamoeba histolytica IC50 nan None 10.1016/j.bmc.2010.01.068
Gallus gallus Gallus gallus Activity 500.0 U/mg 10.1021/jm00199a023
Gallus gallus Gallus gallus Activity 507.0 mg 10.1021/jm00176a020
Gallus gallus Gallus gallus Activity 507.0 U/mg 10.1021/jm00214a006
Gallus gallus Gallus gallus Activity 507.0 U/mg 10.1021/jm00214a007
Gallus gallus Gallus gallus Activity 507.0 U/mg 10.1021/jm00224a025
Gallus gallus Gallus gallus Activity 507.0 U/mg 10.1021/jm00229a003
Gallus gallus Gallus gallus Activity 507.0 USP-U/mg 10.1021/jm00228a017
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 281.8 nM None
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 0.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A Activity nan None 10.1021/jm800656v
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 3000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Oxytocin receptor EC50 0.0046 nM 10.1016/j.bmc.2019.06.018
Homo sapiens Oxytocin receptor EC50 0.008 nM 10.1016/j.bmcl.2017.04.030
Homo sapiens Oxytocin receptor EC50 0.01 nM 10.1021/acs.jmedchem.8b01691
Homo sapiens Oxytocin receptor EC50 0.04 nM 10.1016/j.bmc.2016.05.062
Homo sapiens Oxytocin receptor EC50 0.04 nM 10.1016/j.bmcl.2017.12.027
Homo sapiens Oxytocin receptor EC50 0.3 nM 10.1016/j.bmc.2018.03.019
Homo sapiens Oxytocin receptor EC50 0.7 nM 10.1021/acs.jmedchem.8b00697
Homo sapiens Oxytocin receptor EC50 1.28 nM 10.1021/acs.jmedchem.9b01862
Homo sapiens Oxytocin receptor EC50 2.1 nM 10.1021/acs.jmedchem.6b00564
Homo sapiens Oxytocin receptor EC50 2.29 nM 10.1021/acs.jmedchem.9b01862
Homo sapiens Oxytocin receptor EC50 2.3 nM 10.1021/acsmedchemlett.2c00455
Homo sapiens Oxytocin receptor EC50 2.3 nM 10.1021/jm500365s
Homo sapiens Oxytocin receptor EC50 3.0 nM 10.1016/j.ejmech.2015.11.050
Homo sapiens Oxytocin receptor EC50 5.0 nM 10.1021/jm501395b
Homo sapiens Oxytocin receptor EC50 8.0 nM 10.1021/jm501395b
Homo sapiens Oxytocin receptor EC50 9.0 nM 10.1016/j.bmcl.2017.04.030
Homo sapiens Oxytocin receptor EC50 10.8 nM 10.1021/jm1016208
Homo sapiens Oxytocin receptor EC50 15.0 nM 10.1021/jm100989w
Homo sapiens Oxytocin receptor EC50 26.0 nM 10.1021/acs.jmedchem.8b00697
Homo sapiens Oxytocin receptor Efficacy 102.0 % 10.1016/j.bmcl.2017.12.027
Homo sapiens Oxytocin receptor Emax -0.11 % 10.1021/acs.jmedchem.6b00564
Homo sapiens Oxytocin receptor Emax 100.0 % 10.1021/acs.jmedchem.8b00697
Homo sapiens Oxytocin receptor IC50 2.7 nM 10.1016/j.ejmech.2006.12.016
Homo sapiens Oxytocin receptor Intrinsic activity 102.0 % 10.1016/j.bmc.2016.05.062
Homo sapiens Oxytocin receptor K 0.04222 /min 10.1021/acs.jmedchem.8b01691
Homo sapiens Oxytocin receptor K 8.065 10'6/M/min 10.1021/acs.jmedchem.8b01691
Homo sapiens Oxytocin receptor Kd 6.7 nM 10.1016/s0960-894x(99)00041-4
Homo sapiens Oxytocin receptor Kd 6.7 nM 10.1021/jm00028a008
Homo sapiens Oxytocin receptor Ki 0.44 nM 10.1016/j.bmc.2016.05.062
Homo sapiens Oxytocin receptor Ki 0.58 nM 10.1021/acs.jmedchem.8b01691
Homo sapiens Oxytocin receptor Ki 0.79 nM 10.1021/jm100989w
Homo sapiens Oxytocin receptor Ki 0.79 nM 10.1021/jm501395b
Homo sapiens Oxytocin receptor Ki 0.8 nM 10.1016/j.ejmech.2015.11.050
Homo sapiens Oxytocin receptor Ki 0.8 nM 10.1021/jm010526+
Homo sapiens Oxytocin receptor Ki 1.2 nM 10.1016/j.bmc.2018.03.019
Homo sapiens Oxytocin receptor Ki 6.6 nM 10.1021/jm501395b
Homo sapiens Oxytocin receptor Ki 6.8 nM 10.1016/j.bmcl.2008.11.064
Homo sapiens Oxytocin receptor Ki 9.53 nM 10.1021/jm501395b
Homo sapiens Oxytocin receptor Ratio EC50 1.8 None 10.1021/acs.jmedchem.9b01862
Homo sapiens Oxytocin receptor T1/2 0.2538 hr 10.1021/acs.jmedchem.8b01691
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serum T1/2 11.6 hr 10.1021/jm100989w
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor EC50 0.18 nM 10.1016/j.bmc.2019.06.018
Homo sapiens Vasopressin V1a receptor EC50 0.19 nM 10.1021/acs.jmedchem.8b01691
Homo sapiens Vasopressin V1a receptor EC50 1.5 nM 10.1016/j.bmcl.2017.04.030
Homo sapiens Vasopressin V1a receptor EC50 5.8 nM 10.1016/j.bmcl.2017.04.030
Homo sapiens Vasopressin V1a receptor EC50 7.7 nM 10.1016/j.bmcl.2017.12.027
Homo sapiens Vasopressin V1a receptor EC50 9.0 nM 10.1016/j.bmc.2018.03.019
Homo sapiens Vasopressin V1a receptor EC50 10.0 nM 10.1021/jm500365s
Homo sapiens Vasopressin V1a receptor EC50 60.0 nM 10.1016/j.bmcl.2017.04.030
Homo sapiens Vasopressin V1a receptor EC50 260.0 nM 10.1021/acs.jmedchem.8b00697
Homo sapiens Vasopressin V1a receptor Emax 100.0 % 10.1021/acs.jmedchem.8b00697
Homo sapiens Vasopressin V1a receptor IC50 10000.0 nM 10.1021/jm500365s
Homo sapiens Vasopressin V1a receptor IC50 nan None 10.1021/acs.jmedchem.8b00697
Homo sapiens Vasopressin V1a receptor Ki 20.0 nM 10.1016/j.bmc.2018.03.019
Homo sapiens Vasopressin V1a receptor Ki 34.9 nM 10.1016/j.bmcl.2008.11.064
Homo sapiens Vasopressin V1a receptor Ki 120.0 nM 10.1021/jm010526+
Homo sapiens Vasopressin V1a receptor Ki 120.0 nM 10.1021/jm501395b
Homo sapiens Vasopressin V1b receptor EC50 0.2 nM 10.1016/j.bmc.2019.06.018
Homo sapiens Vasopressin V1b receptor EC50 0.24 nM 10.1021/acs.jmedchem.8b01691
Homo sapiens Vasopressin V1b receptor EC50 24.5 nM 10.1021/jm1016208
Homo sapiens Vasopressin V1b receptor EC50 29.0 nM 10.1021/acs.jmedchem.8b00697
Homo sapiens Vasopressin V1b receptor EC50 33.0 nM 10.1016/j.bmc.2018.03.019
Homo sapiens Vasopressin V1b receptor EC50 39.0 nM 10.1021/acs.jmedchem.8b00697
Homo sapiens Vasopressin V1b receptor EC50 240.0 nM 10.1021/jm500365s
Homo sapiens Vasopressin V1b receptor Emax 31.0 % 10.1021/jm1016208
Homo sapiens Vasopressin V1b receptor Emax 49.0 % 10.1021/acs.jmedchem.8b00697
Homo sapiens Vasopressin V1b receptor Emax 100.0 % 10.1021/acs.jmedchem.8b00697
Homo sapiens Vasopressin V1b receptor Ki 1782.0 nM 10.1021/jm501395b
Homo sapiens Vasopressin V1b receptor Ki 6000.0 nM 10.1016/j.bmc.2018.03.019
Homo sapiens Vasopressin V1b receptor Ki nan nM 10.1021/jm010526+
Homo sapiens Vasopressin V2 receptor EC50 7.3 nM 10.1021/jm500365s
Homo sapiens Vasopressin V2 receptor EC50 29.0 nM 10.1016/j.bmc.2018.03.019
Homo sapiens Vasopressin V2 receptor EC50 210.0 nM 10.1021/acs.jmedchem.8b00697
Homo sapiens Vasopressin V2 receptor EC50 810.0 nM 10.1021/acs.jmedchem.8b00697
Homo sapiens Vasopressin V2 receptor Emax 69.0 % 10.1021/acs.jmedchem.8b00697
Homo sapiens Vasopressin V2 receptor Emax 100.0 % 10.1021/acs.jmedchem.8b00697
Homo sapiens Vasopressin V2 receptor Ki 1544.0 nM 10.1021/jm501395b
Homo sapiens Vasopressin V2 receptor Ki 3500.0 nM 10.1021/jm010526+
Homo sapiens Vasopressin V2 receptor Ki 6000.0 nM 10.1016/j.bmc.2018.03.019
Leishmania amazonensis Leishmania amazonensis IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania donovani Leishmania donovani IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania infantum Leishmania infantum IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania major Leishmania major IC50 nan None 10.1016/j.bmc.2010.01.068
Leishmania mexicana Leishmania mexicana IC50 nan None 10.1016/j.bmc.2010.01.068
Mus musculus Mus musculus Activity 0.0 None 10.1016/j.bmc.2019.06.018
Mus musculus Mus musculus Activity 5.3 None 10.1016/j.bmc.2019.06.018
Mus musculus Mus musculus Activity nan None 10.1016/j.bmc.2019.06.018
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.6b00564
Mus musculus Mus musculus Activity nan None 10.1021/acs.jmedchem.8b01691
Mus musculus Mus musculus Activity nan None 10.1021/acsmedchemlett.2c00455
Mus musculus Mus musculus Ratio 0.8 None 10.1021/acs.jmedchem.8b01691
Mus musculus Mus musculus TIME 0.0475 hr 10.1021/acs.jmedchem.8b01691
Mus musculus Mus musculus TIME 0.06667 hr 10.1021/acs.jmedchem.8b01691
Mus musculus Oxytocin receptor EC50 2.0 nM 10.1021/acs.jmedchem.8b00697
Mus musculus Oxytocin receptor Emax 100.0 % 10.1021/acs.jmedchem.8b00697
Oryctolagus cuniculus Oryctolagus cuniculus Activity 440.0 USP-U/mg 10.1021/jm00228a017
Oryctolagus cuniculus Oryctolagus cuniculus Activity 474.0 U/mg 10.1021/jm00225a007
Oryctolagus cuniculus Oryctolagus cuniculus Activity 543.0 U/mg 10.1021/jm00211a025
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1016/j.bmc.2010.01.068
Pneumocystis carinii Pneumocystis carinii IC50 nan None 10.1016/j.bmc.2010.01.068
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Myometrium Activity nan None 10.1016/j.bmcl.2008.02.017
Rattus norvegicus Myometrium EC50 1.7 nM 10.1016/j.bmcl.2008.02.017
Rattus norvegicus Oxytocin receptor Activity 3.1 IU/mg 10.1016/j.ejmech.2006.12.016
Rattus norvegicus Oxytocin receptor Activity 3.1 U/mg 10.1021/jm00224a010
Rattus norvegicus Oxytocin receptor Activity 450.0 IU mg-1 10.1021/jm00087a009
Rattus norvegicus Oxytocin receptor Activity 486.0 U/mg 10.1021/jm00225a007
Rattus norvegicus Oxytocin receptor Activity 520.0 U/mg 10.1021/jm00225a007
Rattus norvegicus Oxytocin receptor Activity 533.0 U/mg 10.1021/jm00225a007
Rattus norvegicus Oxytocin receptor Activity 546.0 IU/mg 10.1016/j.ejmech.2006.12.016
Rattus norvegicus Oxytocin receptor Activity 546.0 U/mg 10.1021/jm00187a002
Rattus norvegicus Oxytocin receptor Activity 546.0 U/mg 10.1021/jm00224a010
Rattus norvegicus Oxytocin receptor Activity 546.0 USP-U/mg 10.1021/jm00228a017
Rattus norvegicus Oxytocin receptor Ki 0.89 nM 10.1021/jm00171a003
Rattus norvegicus Oxytocin receptor Ki 1.7 nM 10.1021/jm9607156
Rattus norvegicus Oxytocin receptor Oxytocic activity 486.0 U mg-1 10.1021/jm00010a020
Rattus norvegicus Oxytocin receptor Oxytocic activity 520.0 U mg-1 10.1021/jm00010a020
Rattus norvegicus Oxytocin receptor Ratio 7.0 None 10.1021/jm00225a007
Rattus norvegicus Rattus norvegicus Activity 2.1 U/mg 10.1021/jm00224a025
Rattus norvegicus Rattus norvegicus Activity 2.7 mg 10.1021/jm00176a020
Rattus norvegicus Rattus norvegicus Activity 2.7 U/mg 10.1021/jm00214a006
Rattus norvegicus Rattus norvegicus Activity 2.7 U/mg 10.1021/jm00214a007
Rattus norvegicus Rattus norvegicus Activity 2.7 USP-U/mg 10.1021/jm00228a017
Rattus norvegicus Rattus norvegicus Activity 3.0 U/mg 10.1021/jm00199a023
Rattus norvegicus Rattus norvegicus Activity 3.1 IU mg-1 10.1021/jm00087a009
Rattus norvegicus Rattus norvegicus Activity 3.1 mg 10.1021/jm00176a020
Rattus norvegicus Rattus norvegicus Activity 3.1 U/mg 10.1021/jm00214a006
Rattus norvegicus Rattus norvegicus Activity 3.1 U/mg 10.1021/jm00214a007
Rattus norvegicus Rattus norvegicus Activity 3.1 U/mg 10.1021/jm00224a025
Rattus norvegicus Rattus norvegicus Activity 3.1 U/mg 10.1021/jm00229a003
Rattus norvegicus Rattus norvegicus Activity 3.1 USP-U/mg 10.1021/jm00228a017
Rattus norvegicus Rattus norvegicus Activity 4.0 mg 10.1021/jm00358a018
Rattus norvegicus Rattus norvegicus Activity 4.0 U/mg 10.1021/jm00207a002
Rattus norvegicus Rattus norvegicus Activity 4.0 U/mg 10.1021/jm00211a025
Rattus norvegicus Rattus norvegicus Activity 4.0 U/mg 10.1021/jm00219a011
Rattus norvegicus Rattus norvegicus Activity 4.0 U/mg 10.1021/jm00225a007
Rattus norvegicus Rattus norvegicus Activity 4.0 U mg-1 10.1021/jm00366a028
Rattus norvegicus Rattus norvegicus Activity 4.3 mg 10.1021/jm00358a018
Rattus norvegicus Rattus norvegicus Activity 4.3 U/mg 10.1021/jm00207a002
Rattus norvegicus Rattus norvegicus Activity 4.3 U/mg 10.1021/jm00211a025
Rattus norvegicus Rattus norvegicus Activity 4.3 U/mg 10.1021/jm00219a011
Rattus norvegicus Rattus norvegicus Activity 4.3 U/mg 10.1021/jm00225a007
Rattus norvegicus Rattus norvegicus Activity 4.3 U mg-1 10.1021/jm00366a028
Rattus norvegicus Rattus norvegicus Activity 5.0 IU mg-1 10.1021/jm9607156
Rattus norvegicus Rattus norvegicus Activity 5.0 mg kg-1 10.1021/jm990090m
Rattus norvegicus Rattus norvegicus Activity 450.0 IU mg-1 10.1021/jm00087a009
Rattus norvegicus Rattus norvegicus Activity 450.0 IU mg-1 10.1021/jm9607156
Rattus norvegicus Rattus norvegicus Activity 450.0 IU mg-1 10.1021/jm990090m
Rattus norvegicus Rattus norvegicus Activity 474.0 mg 10.1021/jm00358a018
Rattus norvegicus Rattus norvegicus Activity 474.0 U/mg 10.1021/jm00219a011
Rattus norvegicus Rattus norvegicus Activity 474.0 U mg-1 10.1021/jm00366a028
Rattus norvegicus Rattus norvegicus Activity 486.0 mg 10.1021/jm00358a018
Rattus norvegicus Rattus norvegicus Activity 486.0 U mg-1 10.1021/jm00366a028
Rattus norvegicus Rattus norvegicus Activity 510.0 IU mg-1 10.1021/jm9607156
Rattus norvegicus Rattus norvegicus Activity 520.0 mg 10.1021/jm00358a018
Rattus norvegicus Rattus norvegicus Activity 520.0 U mg-1 10.1021/jm00366a028
Rattus norvegicus Rattus norvegicus Activity 540.0 U/mg 10.1021/jm00199a023
Rattus norvegicus Rattus norvegicus Activity 546.0 mg 10.1021/jm00176a020
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/jm00228a017
Rattus norvegicus Rattus norvegicus Antidiuretic 4.0 mg 10.1021/jm00180a027
Rattus norvegicus Rattus norvegicus Antidiuretic activity 5.0 IU mg-1 10.1021/jm9900220
Rattus norvegicus Rattus norvegicus Antidiuretic activity 100.0 % 10.1021/jm9900220
Rattus norvegicus Rattus norvegicus CL 21.0 mL.min-1.kg-1 10.1021/jm500365s
Rattus norvegicus Rattus norvegicus EC50 0.5 nM 10.1021/jm990090m
Rattus norvegicus Rattus norvegicus EC50 0.6 nM 10.1021/jm990090m
Rattus norvegicus Rattus norvegicus ED50 0.2 umol.kg-1 10.1021/jm990090m
Rattus norvegicus Rattus norvegicus F 0.85 % 10.1021/ml500239m
Rattus norvegicus Rattus norvegicus K 202.0 uM 10.1021/jm9900220
Rattus norvegicus Rattus norvegicus K 287.0 uM 10.1021/jm9900220
Rattus norvegicus Rattus norvegicus Max uterotonic response 100.0 % 10.1021/jm00176a020
Rattus norvegicus Rattus norvegicus Na 563.0 uM 10.1021/jm9900220
Rattus norvegicus Rattus norvegicus Na 773.0 uM 10.1021/jm9900220
Rattus norvegicus Rattus norvegicus Pressor response 4.5 IU mg-1 10.1021/jm9900220
Rattus norvegicus Rattus norvegicus Ratio 130.0 None 10.1021/jm00211a025
Rattus norvegicus Rattus norvegicus T1/2 2.967 hr 10.1021/jm9900220
Rattus norvegicus Rattus norvegicus Uterotonic activity 450.0 IU mg-1 10.1021/jm9900220
Rattus norvegicus Rattus norvegicus Volume of urine 4.8 ml 10.1021/jm9900220
Rattus norvegicus Rattus norvegicus Volume of urine 11.3 ml 10.1021/jm9900220
Rattus norvegicus Vasopressin V1a receptor Vasopressor activity 4.3 U mg-1 10.1021/jm00010a020
Rattus norvegicus Vasopressin V2 receptor Antidiuretic activity 4.0 U mg-1 10.1021/jm00010a020
Rattus norvegicus Vasopressin V2 receptor Ki 61.0 nM 10.1021/jm00171a003
Rattus norvegicus Vasopressin V2 receptor Ki 88.0 nM 10.1021/jm00171a003
Toxoplasma gondii Toxoplasma gondii IC50 nan None 10.1016/j.bmc.2010.01.068
Trichomonas vaginalis Trichomonas vaginalis IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei Trypanosoma brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 nan None 10.1016/j.bmc.2010.01.068
Trypanosoma cruzi Trypanosoma cruzi IC50 nan None 10.1016/j.bmc.2010.01.068
None ADMET Cp 334.0 ng/ml 10.1021/acs.jmedchem.8b01691
None ADMET Drug degradation 25.1 % 10.1016/j.bmcl.2012.12.041
None ADMET Drug degradation 36.0 mol% 10.1021/jm00198a011
None ADMET Drug degradation 43.2 % 10.1016/j.bmcl.2012.12.041
None ADMET Drug degradation 54.0 mol% 10.1021/jm00198a011
None ADMET Drug degradation 60.0 mol% 10.1021/jm00198a011
None ADMET Drug degradation 63.0 mol% 10.1021/jm00198a011
None ADMET Drug degradation 69.6 % 10.1016/j.bmcl.2012.12.041
None ADMET Drug degradation 70.0 mol% 10.1021/jm00198a011
None ADMET Drug degradation 72.0 mol% 10.1021/jm00198a011
None ADMET Drug degradation 74.6 % 10.1016/j.bmcl.2012.12.041
None ADMET Drug degradation 76.0 mol% 10.1021/jm00198a011
None ADMET Drug degradation 77.0 mol% 10.1021/jm00198a011
None ADMET Drug degradation 96.8 % 10.1016/j.bmcl.2012.12.041
None ADMET Drug degradation 100.0 % 10.1016/j.bmcl.2012.12.041
None ADMET Drug degradation 110.0 mol% 10.1021/jm00198a011
None ADMET Drug uptake nan None 10.1021/acs.jmedchem.8b01691
None ADMET Papp 0.35 ucm/s 10.1021/ml500239m
None ADMET Stability 30.0 ml/min.kg 10.1016/j.bmcl.2017.12.027
None ADMET Stability 85.0 % 10.1021/acs.jmedchem.8b01691
None ADMET T1/2 0.03333 hr 10.1021/acs.jmedchem.9b01862
None ADMET T1/2 0.0485 hr 10.1021/acs.jmedchem.8b01691
None ADMET T1/2 0.05 hr 10.1016/j.bmc.2018.03.019
None ADMET T1/2 0.1333 hr 10.1021/acs.jmedchem.2c00094
None ADMET T1/2 0.1473 hr 10.1021/acs.jmedchem.8b01691
None ADMET T1/2 24.0 hr 10.1021/acs.jmedchem.2c00094
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None NON-PROTEIN TARGET Activity 486.0 U/mg 10.1021/jm00211a025
None NON-PROTEIN TARGET Activity 486.0 U/mg 10.1021/jm00219a011
None NON-PROTEIN TARGET Activity 520.0 U/mg 10.1021/jm00211a025
None NON-PROTEIN TARGET Activity 520.0 U/mg 10.1021/jm00219a011
None NON-PROTEIN TARGET Activity 546.0 U/mg 10.1021/jm00214a006
None NON-PROTEIN TARGET Activity 546.0 U/mg 10.1021/jm00229a003
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.bmc.2010.01.068
None NON-PROTEIN TARGET Ratio 120.0 None 10.1021/jm00358a018
None NON-PROTEIN TARGET Ratio 130.0 None 10.1021/jm00358a018
None Unchecked Activity 507.0 U/mg 10.1021/jm00224a010
None Unchecked Activity 533.0 U/mg 10.1021/jm00211a025
None Unchecked Activity 546.0 U/mg 10.1021/jm00214a007
None Unchecked Activity 546.0 U/mg 10.1021/jm00224a025
None Unchecked Ratio 120.0 None 10.1021/jm00366a028
None Unchecked Ratio 121.0 None 10.1021/jm00219a011
None Unchecked Ratio 121.0 None 10.1021/jm00225a007
None Unchecked Ratio 130.0 None 10.1021/jm00219a011
None Unchecked Ratio 130.0 None 10.1021/jm00225a007
None Unchecked Ratio 130.0 None 10.1021/jm00366a028
None Unchecked Ratio 200.0 None 10.1021/jm00214a006
None Unchecked Ratio EC50 0.03 None 10.1016/j.bmc.2018.03.019
None Unchecked Ratio EC50 3.0 None 10.1021/jm500365s
None Unchecked Ratio EC50 4.0 None 10.1021/jm500365s
None Unchecked Ratio EC50 18.8 None 10.1021/acs.jmedchem.8b01691
None Unchecked Ratio EC50 24.2 None 10.1021/acs.jmedchem.8b01691
None Unchecked Ratio EC50 30.0 None 10.1016/j.bmc.2018.03.019
None Unchecked Ratio EC50 100.0 None 10.1021/jm500365s
None Unchecked Ratio EC50 190.0 None 10.1016/j.bmcl.2017.04.030
None Unchecked Ratio EC50 730.0 None 10.1016/j.bmcl.2017.04.030
None Unchecked Ratio Ki 0.06 None 10.1016/j.bmc.2018.03.019
None Unchecked Ratio Ki 17.0 None 10.1016/j.bmc.2018.03.019

Metabolism Information