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name Structure Reference Source Properties Activities Metabolism

None

AlkaPlorer ID: AK323899

Synonym: None

IUPAC Name: N-methyl-2-phenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide

Structure

SMILES: CN(C(=O)CC1=CC=CC=C1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1

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InChI: InChI=1S/C22H32N2O2/c1-23(21(25)16-18-8-3-2-4-9-18)19-10-12-22(11-7-15-26-22)17-20(19)24-13-5-6-14-24/h2-4,8-9,19-20H,5-7,10-17H2,1H3/t19-,20-,22-/m0/s1

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InChIKey: PGZRDDYTKFZSFR-ONTIZHBOSA-N

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Reference

PubChem CID: 105104

CAS: 55901-20-7

NPASS: NPC485314

Properties Information

Molecule Weight: 356.51000000000016

TPSA？: 32.78

MolLogP？: 3.2536000000000023

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Cavia porcellus Cavia porcellus EC50 2.2 nM 10.1016/0960-894X(95)00325-N
Cavia porcellus Cavia porcellus Ke 9.0 nM 10.1016/0960-894X(95)00325-N
Cavia porcellus Kappa opioid receptor EC50 1445.44 nM 10.1021/acsmedchemlett.2c00237
Cavia porcellus Kappa opioid receptor Emax 58.0 nM 10.1016/s0960-894x(99)00613-7
Cavia porcellus Kappa opioid receptor Emax 58.0 None 10.1016/s0960-894x(99)00525-9
Cavia porcellus Kappa opioid receptor Emax 237.8 % 10.1021/acsmedchemlett.2c00237
Cavia porcellus Kappa opioid receptor IC50 2.1 nM 10.1021/jm00003a020
Cavia porcellus Kappa opioid receptor IC50 2.1 nM 10.1021/jm00044a006
Cavia porcellus Kappa opioid receptor Kd 4.3 nM 10.1021/jm00118a028
Cavia porcellus Kappa opioid receptor Kd 4894.0 nM 10.1016/s0960-894x(99)00525-9
Cavia porcellus Kappa opioid receptor Kd 4894.0 nM 10.1016/s0960-894x(99)00613-7
Cavia porcellus Kappa opioid receptor Ki 0.7 nM 10.1016/j.bmcl.2006.05.060
Cavia porcellus Kappa opioid receptor Ki 0.88 nM 10.1016/j.bmc.2014.04.054
Cavia porcellus Kappa opioid receptor Ki 0.97 nM 10.1021/acs.jmedchem.6b01868
Cavia porcellus Kappa opioid receptor Ki 0.97 nM 10.1021/acs.jmedchem.8b01609
Cavia porcellus Kappa opioid receptor Ki 0.97 nM 10.1021/jm100182p
Cavia porcellus Kappa opioid receptor Ki 0.97 nM 10.1021/jm500940q
Cavia porcellus Kappa opioid receptor Ki 0.97 nM 10.1039/C5MD00414D
Cavia porcellus Kappa opioid receptor Ki 0.97 nM 10.1039/C6MD00441E
Cavia porcellus Kappa opioid receptor Ki 1.06 nM 10.1021/jm00102a019
Cavia porcellus Kappa opioid receptor Ki 1.37 nM 10.1016/j.bmcl.2012.10.100
Cavia porcellus Kappa opioid receptor Ki 1.37 nM 10.1016/j.bmcl.2014.08.012
Cavia porcellus Kappa opioid receptor Ki 1.37 nM 10.1021/ml5000542
Cavia porcellus Kappa opioid receptor Ki 1.778 nM 10.1021/jm950423p
Cavia porcellus Kappa opioid receptor Ki 1.89 nM 10.1021/jm0307640
Cavia porcellus Kappa opioid receptor Ki 4.8 nM 10.1021/jm030311v
Cavia porcellus Kappa opioid receptor Ki 7.3 nM 10.1021/jm00399a025
Cavia porcellus Kappa opioid receptor Ki nan None 10.1021/acsmedchemlett.2c00237
Cavia porcellus Kappa opioid receptor NS nan None 10.1021/jm000427g
Cavia porcellus Mu opioid receptor ED50 684.0 nM 10.1021/jm000427g
Cavia porcellus Mu opioid receptor ED50 2142.0 nM 10.1021/jm000427g
Cavia porcellus Mu opioid receptor Emax 167.0 nM 10.1016/s0960-894x(99)00613-7
Cavia porcellus Mu opioid receptor Emax 167.0 nM 10.1021/jm000427g
Cavia porcellus Mu opioid receptor Emax 167.0 None 10.1016/s0960-894x(99)00525-9
Cavia porcellus Mu opioid receptor Emax 177.0 nM 10.1016/s0960-894x(99)00613-7
Cavia porcellus Mu opioid receptor Emax 177.0 nM 10.1021/jm000427g
Cavia porcellus Mu opioid receptor Emax 177.0 None 10.1016/s0960-894x(99)00525-9
Cavia porcellus Mu opioid receptor IC50 1760.0 nM 10.1021/jm00003a020
Cavia porcellus Mu opioid receptor IC50 1760.0 nM 10.1021/jm00044a006
Cavia porcellus Mu opioid receptor Kd 684.0 nM 10.1016/s0960-894x(99)00525-9
Cavia porcellus Mu opioid receptor Kd 684.0 nM 10.1016/s0960-894x(99)00613-7
Cavia porcellus Mu opioid receptor Kd 2142.0 nM 10.1016/s0960-894x(99)00525-9
Cavia porcellus Mu opioid receptor Kd 2142.0 nM 10.1016/s0960-894x(99)00613-7
Cavia porcellus Mu opioid receptor Ki 52.0 nM 10.1021/jm00399a025
Cavia porcellus Mu opioid receptor Ki 551.0 nM 10.1021/jm00102a019
Cavia porcellus Mu opioid receptor Ki 692.0 nM 10.1016/j.bmcl.2006.05.060
Cavia porcellus Mu opioid receptor Ki 1880.0 nM 10.1021/jm0307640
Cavia porcellus Nociceptin receptor Ki 1099.0 nM 10.1016/j.bmcl.2006.05.060
Homo sapiens Brain Activity 13.4 % 10.1016/j.bmcl.2006.02.017
Homo sapiens Delta opioid receptor EC50 10000.0 nM 10.1021/jm021073r
Homo sapiens Delta opioid receptor EC50 nan None 10.1021/acs.jmedchem.1c00694
Homo sapiens Delta opioid receptor ED50 1980.0 nM 10.1021/jm000427g
Homo sapiens Delta opioid receptor Emax 178.0 nM 10.1016/s0960-894x(99)00613-7
Homo sapiens Delta opioid receptor Emax 178.0 nM 10.1021/jm000427g
Homo sapiens Delta opioid receptor Emax 178.0 None 10.1016/s0960-894x(99)00525-9
Homo sapiens Delta opioid receptor Emax nan None 10.1021/acs.jmedchem.1c00694
Homo sapiens Delta opioid receptor IC50 4970.0 nM 10.1021/jm00003a020
Homo sapiens Delta opioid receptor IC50 5000.0 nM 10.1021/jm00044a006
Homo sapiens Delta opioid receptor IC50 5800.0 nM 10.1016/s0960-894x(03)00033-7
Homo sapiens Delta opioid receptor IC50 5844.0 nM 10.1016/s0960-894x(01)00691-6
Homo sapiens Delta opioid receptor Inhibition nan % 10.1016/j.bmc.2014.02.047
Homo sapiens Delta opioid receptor Kd 1980.0 nM 10.1016/s0960-894x(99)00525-9
Homo sapiens Delta opioid receptor Kd 1980.0 nM 10.1016/s0960-894x(99)00613-7
Homo sapiens Delta opioid receptor Ke nan None 10.1021/jm070393d
Homo sapiens Delta opioid receptor Ki 1000.0 nM 10.1021/jm0307640
Homo sapiens Delta opioid receptor Ki 1358.0 nM 10.1016/j.bmcl.2006.05.060
Homo sapiens Delta opioid receptor Ki 10000.0 nM 10.1021/jm021073r
Homo sapiens Delta opioid receptor Ki 10000.0 nM 10.1021/jm0307640
Homo sapiens Delta opioid receptor Ki 10000.0 nM 10.1021/jm2003238
Homo sapiens Delta opioid receptor Ki 10000.0 nM 10.1021/jm301258w
Homo sapiens Delta opioid receptor Ki 12000.0 nM 10.1016/j.bmc.2013.02.060
Homo sapiens Delta opioid receptor Ki 12000.0 nM 10.1016/j.ejmech.2015.01.025
Homo sapiens Delta opioid receptor Ki 12540.0 nM 10.1016/j.ejmech.2012.01.025
Homo sapiens Delta opioid receptor Ki 12540.0 nM 10.1016/j.ejmech.2013.06.030
Homo sapiens Delta opioid receptor pEC50 nan None 10.1021/acs.jmedchem.1c00694
Homo sapiens Delta opioid receptor Stimulation 10000.0 % 10.1021/jm021073r
Homo sapiens Kappa opioid receptor Activity 100.0 % 10.1021/acs.jmedchem.6b01868
Homo sapiens Kappa opioid receptor EC50 0.8 nM 10.1021/jm501521d
Homo sapiens Kappa opioid receptor EC50 2.25 nM 10.1016/j.bmcl.2007.09.050
Homo sapiens Kappa opioid receptor EC50 2.6 nM 10.1016/j.bmcl.2018.01.055
Homo sapiens Kappa opioid receptor EC50 2.8 nM 10.1021/acs.jmedchem.1c00722
Homo sapiens Kappa opioid receptor EC50 5.3 nM 10.1021/acs.jmedchem.6b01868
Homo sapiens Kappa opioid receptor EC50 5.4 nM 10.1021/acs.jmedchem.8b00435
Homo sapiens Kappa opioid receptor EC50 6.6 nM 10.1021/np050398i
Homo sapiens Kappa opioid receptor EC50 8.03 nM 10.1016/j.bmcl.2014.08.012
Homo sapiens Kappa opioid receptor EC50 11.0 nM 10.1021/jm701440h
Homo sapiens Kappa opioid receptor EC50 11.75 nM 10.1021/acs.jmedchem.1c00694
Homo sapiens Kappa opioid receptor EC50 11.9 nM 10.1021/acs.jmedchem.1c00694
Homo sapiens Kappa opioid receptor EC50 12.0 nM 10.1021/jm500940q
Homo sapiens Kappa opioid receptor EC50 12.0 nM 10.1021/ml5000542
Homo sapiens Kappa opioid receptor EC50 12.0 nM 10.1039/C5MD00414D
Homo sapiens Kappa opioid receptor EC50 12.5 nM 10.1016/j.bmc.2012.02.040
Homo sapiens Kappa opioid receptor EC50 16.5 nM 10.1016/j.bmc.2021.116552
Homo sapiens Kappa opioid receptor EC50 26.1 nM 10.1021/jm021073r
Homo sapiens Kappa opioid receptor EC50 26.1 nM 10.1021/jm301258w
Homo sapiens Kappa opioid receptor EC50 28.1 nM 10.1016/j.bmc.2015.08.036
Homo sapiens Kappa opioid receptor EC50 28.1 nM 10.1016/j.bmcl.2012.10.100
Homo sapiens Kappa opioid receptor EC50 28.1 nM 10.1016/j.bmcl.2014.09.029
Homo sapiens Kappa opioid receptor EC50 52.0 nM 10.1016/j.bmcl.2018.01.055
Homo sapiens Kappa opioid receptor EC50 60.14 nM 10.1016/j.bmc.2014.02.047
Homo sapiens Kappa opioid receptor EC50 64.3 nM 10.1016/j.bmcl.2006.02.017
Homo sapiens Kappa opioid receptor EC50 80.0 nM 10.1016/j.bmc.2014.04.054
Homo sapiens Kappa opioid receptor EC50 80.0 nM 10.1021/jm100182p
Homo sapiens Kappa opioid receptor EC50 83.76 nM 10.1016/j.ejmech.2021.113986
Homo sapiens Kappa opioid receptor EC50 131.0 nM 10.1021/acs.jmedchem.8b00435
Homo sapiens Kappa opioid receptor EC50 205.0 nM 10.1021/acs.jmedchem.8b00435
Homo sapiens Kappa opioid receptor EC50 207.0 nM 10.1021/jm070393d
Homo sapiens Kappa opioid receptor EC50 207.0 nM 10.1021/np050398i
Homo sapiens Kappa opioid receptor EC50 330.0 nM 10.1016/j.bmcl.2007.09.050
Homo sapiens Kappa opioid receptor EC50 534.0 nM 10.1016/j.bmc.2014.02.015
Homo sapiens Kappa opioid receptor ED50 24.0 nM 10.1016/s0960-894x(03)00033-7
Homo sapiens Kappa opioid receptor Emax 95.3 % 10.1021/acs.jmedchem.1c00694
Homo sapiens Kappa opioid receptor Emax 100.0 % 10.1016/j.bmcl.2007.09.050
Homo sapiens Kappa opioid receptor Emax 100.0 % 10.1016/j.bmcl.2012.10.100
Homo sapiens Kappa opioid receptor Emax 100.0 % 10.1021/jm070393d
Homo sapiens Kappa opioid receptor Emax 100.0 % 10.1021/jm301258w
Homo sapiens Kappa opioid receptor Emax 100.0 % 10.1021/jm501521d
Homo sapiens Kappa opioid receptor Emax 100.0 % 10.1021/ml5000542
Homo sapiens Kappa opioid receptor Emax 100.0 % 10.1021/np050398i
Homo sapiens Kappa opioid receptor Emax 199.5 % 10.1021/acs.jmedchem.1c00722
Homo sapiens Kappa opioid receptor IC50 2.0 nM 10.1016/s0960-894x(01)00691-6
Homo sapiens Kappa opioid receptor IC50 2.0 nM 10.1016/s0960-894x(03)00033-7
Homo sapiens Kappa opioid receptor IC50 8.0 nM 10.1021/np100009j
Homo sapiens Kappa opioid receptor Inhibition nan % 10.1016/j.bmc.2014.02.015
Homo sapiens Kappa opioid receptor Ke nan None 10.1021/jm070393d
Homo sapiens Kappa opioid receptor Ki 0.3 nM 10.1021/jm021073r
Homo sapiens Kappa opioid receptor Ki 0.3 nM 10.1021/jm301258w
Homo sapiens Kappa opioid receptor Ki 0.475 nM 10.1016/j.bmc.2010.04.069
Homo sapiens Kappa opioid receptor Ki 0.9 nM 10.1021/acs.jmedchem.1c00722
Homo sapiens Kappa opioid receptor Ki 1.05 nM 10.1016/j.bmc.2014.02.047
Homo sapiens Kappa opioid receptor Ki 1.1 nM 10.1016/j.bmcl.2016.11.057
Homo sapiens Kappa opioid receptor Ki 1.11 nM 10.1021/jm0307640
Homo sapiens Kappa opioid receptor Ki 1.4 nM 10.1021/jm990583r
Homo sapiens Kappa opioid receptor Ki 1.6 nM 10.1021/jm2003238
Homo sapiens Kappa opioid receptor Ki 3.5 nM 10.1016/j.bmc.2013.02.060
Homo sapiens Kappa opioid receptor Ki 3.5 nM 10.1016/j.ejmech.2012.01.025
Homo sapiens Kappa opioid receptor Ki 3.5 nM 10.1016/j.ejmech.2013.06.030
Homo sapiens Kappa opioid receptor Ki 3.5 nM 10.1016/j.ejmech.2015.01.025
Homo sapiens Kappa opioid receptor Ratio 15.9 None 10.1016/j.bmcl.2006.02.017
Homo sapiens Kappa opioid receptor Ratio nan None 10.1021/jm9803166
Homo sapiens Kappa opioid receptor Stimulation 100.0 % 10.1021/jm021073r
Homo sapiens Mu opioid receptor EC50 10000.0 nM 10.1021/jm021073r
Homo sapiens Mu opioid receptor EC50 nan None 10.1021/acs.jmedchem.1c00694
Homo sapiens Mu opioid receptor Emax nan None 10.1021/acs.jmedchem.1c00694
Homo sapiens Mu opioid receptor IC50 248.0 nM 10.1016/s0960-894x(01)00691-6
Homo sapiens Mu opioid receptor IC50 250.0 nM 10.1016/s0960-894x(03)00033-7
Homo sapiens Mu opioid receptor Ke nan None 10.1021/jm070393d
Homo sapiens Mu opioid receptor Ki 1000.0 nM 10.1021/jm0307640
Homo sapiens Mu opioid receptor Ki 1145.0 nM 10.1021/jm021073r
Homo sapiens Mu opioid receptor Ki 1145.0 nM 10.1021/jm301258w
Homo sapiens Mu opioid receptor Ki 2000.0 nM 10.1016/j.bmc.2013.02.060
Homo sapiens Mu opioid receptor Ki 2000.0 nM 10.1016/j.ejmech.2015.01.025
Homo sapiens Mu opioid receptor Ki 2370.0 nM 10.1016/j.ejmech.2012.01.025
Homo sapiens Mu opioid receptor Ki 2370.0 nM 10.1016/j.ejmech.2013.06.030
Homo sapiens Mu opioid receptor Ki 10000.0 nM 10.1021/jm2003238
Homo sapiens Mu opioid receptor pEC50 nan None 10.1021/acs.jmedchem.1c00694
Homo sapiens Mu opioid receptor Stimulation 10000.0 % 10.1021/jm021073r
Homo sapiens Nociceptin receptor Ki 10000.0 nM 10.1021/jm2003238
Homo sapiens Opioid receptors; delta & kappa Selectivity 3.0 None 10.1021/jm021073r
Homo sapiens Opioid receptors; mu & delta Selectivity 0.11 None 10.1021/jm021073r
Homo sapiens Opioid receptors; mu & kappa Ki ratio nan None 10.1021/jm00102a019
Homo sapiens Opioid receptors; mu & kappa Ratio 7.1 None 10.1021/jm00399a025
Homo sapiens Opioid receptors; mu/kappa/delta IC50 139.0 nM 10.1021/jm00003a020
Homo sapiens Regulator of G-protein signaling 4 Potency 13371.4 nM None
Mus musculus Delta opioid receptor Ki 391.0 nM 10.1016/j.bmcl.2012.10.100
Mus musculus Delta opioid receptor Ki 1000.0 nM 10.1016/j.bmcl.2014.08.012
Mus musculus Delta opioid receptor Ki 1000.0 nM 10.1021/ml5000542
Mus musculus Mu opioid receptor Ki 1.18 nM 10.1021/jm00046a026
Mus musculus Mu opioid receptor Ki 548.0 nM 10.1016/j.bmcl.2012.10.100
Mus musculus Mu opioid receptor Ki 1000.0 nM 10.1016/j.bmcl.2014.08.012
Mus musculus Mu opioid receptor Ki 1000.0 nM 10.1021/ml5000542
Mus musculus Mus musculus EC50 28.0 nM 10.1016/0960-894X(95)00325-N
Mus musculus Mus musculus Ke 20.4 nM 10.1016/0960-894X(95)00325-N
Plasmodium falciparum Plasmodium falciparum IC50 7943.28 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 10000.0 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum IC50 19952.62 nM 10.1038/nchembio.215
Plasmodium falciparum Plasmodium falciparum Potency 13459.1 nM None
Rattus norvegicus Delta opioid receptor Ki 5000.0 nM 10.1021/jm030311v
Rattus norvegicus Delta opioid receptor Ki nan None 10.1021/acsmedchemlett.2c00237
Rattus norvegicus Kappa opioid receptor EC50 7.7 nM 10.1021/ml500241n
Rattus norvegicus Kappa opioid receptor Emax 202.0 % 10.1021/ml500241n
Rattus norvegicus Kappa opioid receptor IC50 0.63 nM 10.1016/s0960-894x(98)00349-7
Rattus norvegicus Kappa opioid receptor Kd 1.0 nM 10.1016/j.bmc.2014.12.033
Rattus norvegicus Kappa opioid receptor Ki 1.4 nM 10.1021/jm990583r
Rattus norvegicus Kappa opioid receptor Ki 2.0 nM 10.1021/jm990583r
Rattus norvegicus Kappa opioid receptor Ki 2.4 nM 10.1021/jm990583r
Rattus norvegicus Kappa opioid receptor Ki 3.0 nM 10.1021/jm990583r
Rattus norvegicus Kappa opioid receptor Ki 3.98 nM 10.1016/j.bmc.2017.02.064
Rattus norvegicus Kappa opioid receptor Ki 5.7 nM 10.1021/ml500241n
Rattus norvegicus Mu opioid receptor Ki 7250.0 nM 10.1021/jm030311v
Rattus norvegicus Mu opioid receptor Ki nan None 10.1021/acsmedchemlett.2c00237
Rattus norvegicus Opioid receptors; mu & delta Ratio 1.5 None 10.1021/jm030311v
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/acs.jmedchem.9b01465
Rattus norvegicus Rattus norvegicus ED50 1.81 mg.kg-1 10.1021/acs.jmedchem.9b01465
None ADMET Activity nan None 10.1021/acs.jmedchem.9b01465
None No relevant target LogD7.4 0.99 None 10.6019/CHEMBL3301361
None Unchecked Ac50 6.31 uM None
None Unchecked Ac50 19.95 uM None
None Unchecked Ac50 44.67 uM None
None Unchecked AC50 6309.6 nM None
None Unchecked AC50 19952.6 nM None
None Unchecked AC50 44668.4 nM None
None Unchecked IC50 140.0 nM 10.1021/jm00044a006
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Ki 2.0 nM 10.1021/jm990583r
None Unchecked Ki 2.4 nM 10.1021/jm990583r
None Unchecked Ki 3.0 nM 10.1021/jm990583r
None Unchecked Potency 17782.8 nM None
None Unchecked Ratio 0.01 None 10.1021/jm030311v
None Unchecked Ratio Ki 50.0 None 10.1021/jm2003238
None Unchecked Ratio Ki 285.4 None 10.1016/j.bmcl.2012.10.100
None Unchecked Ratio Ki 292.0 None 10.1016/j.bmc.2010.04.069
None Unchecked Ratio Ki 400.0 None 10.1016/j.bmcl.2012.10.100
None Unchecked Ratio Ki 3817.0 None 10.1021/jm301258w
None Unchecked Ratio Ki 30000.0 None 10.1021/jm301258w

Metabolism Information