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name Structure Reference Source Properties Activities Metabolism

Nordazepam

AlkaPlorer ID: AK009494

Synonym: None

IUPAC Name: 7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one

Structure

SMILES: OC1=NC2=CC=C(Cl)C=C2C(C2=CC=CC=C2)=NC1

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InChI: InChI=1S/C15H11ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19)

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InChIKey: AKPLHCDWDRPJGD-UHFFFAOYSA-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: 270.71900000000005

TPSA？: 44.95

MolLogP？: 3.7790000000000017

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Felis catus Felis catus log(1/MED) 2.432 None 10.1021/jm00219a019
Hepatitis B virus Hepatitis B virus IC50 255000.0 nM 10.1016/j.bmcl.2008.05.065
Hepatitis B virus Hepatitis B virus IC50 835000.0 nM 10.1016/j.bmcl.2008.05.065
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 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-1-acid glycoprotein 1 Activity 9.0 uM 10.1016/j.bmc.2007.04.060
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-3 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Caco-2 logPapp -4.02 None 10.1016/j.bmc.2011.03.011
Homo sapiens Cannabinoid CB1 receptor AC50 0.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens D283 Med IC50 200000.0 nM 10.1021/jm960592p
Homo sapiens D341 cell line IC50 200000.0 nM 10.1021/jm960592p
Homo sapiens Daoy IC50 200000.0 nM 10.1021/jm960592p
Homo sapiens Delta opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D4 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D5 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-B AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Equilibrative nucleoside transporter 1 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 Estrogen receptor beta AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens GABA-A receptor; anion channel IC50 106414301.82 nM 10.1021/jm00004a017
Homo sapiens GABA-B receptor 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 206.0 nM None
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Homo sapiens Absorption 99.0 % 10.1021/jm980527a
Homo sapiens Homo sapiens Activity 0.99 % 10.1016/j.ejmech.2009.11.034
Homo sapiens Homo sapiens FA 99.0 % 10.1021/jm000942e
Homo sapiens Homo sapiens FA 99.0 None 10.1021/jm001101a
Homo sapiens Homo sapiens Pc 307000000.0 cm s-1 10.1021/jm001101a
Homo sapiens Homo sapiens Ratio 1.0 None 10.1021/jm001101a
Homo sapiens Kappa opioid receptor AC50 9974.2 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M4 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M5 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neurokinin 1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neurokinin 2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neurotensin receptor 1 AC50 14000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens P-glycoprotein 1 Activity nan None 10.1124/jpet.102.039255
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 12000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 6A AC50 10000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 5a (5-HT5a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 7 (5-HT7) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serum albumin Activity 17.0 uM 10.1016/j.bmc.2007.04.060
Homo sapiens SF-126 IC50 100000.0 nM 10.1021/jm960592p
Homo sapiens SF-188 IC50 100000.0 nM 10.1021/jm960592p
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Translocator protein IC50 106414301.82 nM 10.1021/jm960536o
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Whole blood Retention_time 6.11 min 10.1007/s00044-012-9977-1
Mus musculus GABA-A receptor; anion channel IC50 9.4e-06 nM 10.1021/jm00372a012
Mus musculus GABA-A receptor; anion channel Ki 73000.0 nM 10.1021/jm00372a012
Mus musculus Mus musculus Change 35.0 % 10.1021/jm00372a012
Mus musculus Mus musculus Change 48.0 % 10.1021/jm00372a012
Mus musculus Mus musculus Change 70.0 % 10.1021/jm00372a012
Mus musculus Mus musculus Change nan None 10.1021/jm00372a012
Mus musculus Mus musculus ED50 0.28 mg.kg-1 10.1021/jm00372a012
Mus musculus Mus musculus ED50 0.3 mg.kg-1 10.1021/jm00210a022
Mus musculus Mus musculus ED50 0.5 mg.kg-1 10.1021/jm00210a022
Mus musculus Mus musculus ED50 0.7 mg.kg-1 10.1021/jm00210a022
Mus musculus Mus musculus ED50 0.9 mg.kg-1 10.1021/jm00210a022
Mus musculus Mus musculus ED50 1.6 mg.kg-1 10.1021/jm00210a022
Mus musculus Mus musculus ED50 1.8 mg.kg-1 10.1021/jm00210a022
Mus musculus Mus musculus ED50 7.0 mg.kg-1 10.1021/jm00210a022
Mus musculus Mus musculus ED50 20.0 mg.kg-1 10.1021/jm00210a022
Mus musculus Mus musculus ED50 100.0 mg.kg-1 10.1021/jm00210a022
Mus musculus Mus musculus log(1/ED50) 0.557 None 10.1021/jm00219a019
Mus musculus Mus musculus log(1/ED50) 1.654 None 10.1021/jm00219a019
Mus musculus Mus musculus log(1/MED) 1.131 None 10.1021/jm00219a019
Mus musculus Mus musculus Log ED50 1.13 mM kg-1 10.1021/jm00362a003
Mus musculus Mus musculus Permeability nan None 10.1021/jm990968+
Mus musculus Mus musculus TD50 11.86 mg kg-1 10.1021/jm00372a012
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus C6 IC50 200000.0 nM 10.1021/jm960592p
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 49.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Peripheral-type benzodiazepine receptor IC50 520000.0 nM 10.1021/jm960592p
Rattus norvegicus Rattus norvegicus Log 1/C 0.832 None 10.1021/jm00176a016
Rattus norvegicus Rattus norvegicus Log 1/C 1.247 None 10.1021/jm00176a016
Rattus norvegicus Rattus norvegicus Log 1/C 1.83 None 10.1021/jm00176a016
Rattus norvegicus RG2 IC50 200000.0 nM 10.1021/jm960592p
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
None ADMET Activity 99.0 % 10.1021/jm048980b
None ADMET CC50 221000.0 nM 10.1016/j.bmcl.2008.05.065
None ADMET CL 0.12 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET delta logD 0.0 None 10.1021/jm0000564
None ADMET F 80.0 % 10.1021/jm0000564
None ADMET F 99.0 % None
None ADMET Fu 0.03 None 10.1021/jm030408h
None ADMET log10(%HIA +10) 2.037 None 10.1016/j.ejmech.2010.11.005
None ADMET -Log C 0.56 mM kg-1 10.1021/jm00178a018
None ADMET -Log C 0.65 mM kg-1 10.1021/jm00178a018
None ADMET -Log C 1.03 mM kg-1 10.1021/jm00178a018
None ADMET -Log C 1.13 mM kg-1 10.1021/jm00178a018
None ADMET -Log C 1.66 mM kg-1 10.1021/jm00178a018
None ADMET MRT 63.0 hr 10.1124/dmd.108.020479
None ADMET Papp 96000000.0 cm s-1 10.1021/jm001101a
None ADMET T1/2 46.0 hr 10.1124/dmd.108.020479
None ADMET T1/2 50.0 hr 10.1021/acs.jmedchem.0c00530
None ADMET Vdss 0.45 L.kg-1 10.1124/dmd.108.020479
None ADMET Vdss 0.64 L.kg-1 10.1021/jm030408h
None NON-PROTEIN TARGET Fu 0.03 None 10.1124/dmd.108.020479
None No relevant target log1/S0 4.23 None 10.1016/j.ejmech.2007.04.009
None No relevant target LogD 2.93 None 10.1021/jm0000564
None No relevant target LogP 2.14 None 10.1021/jm00176a016
None No relevant target pKa nan None 10.1021/jm0000564
None No relevant target pKa nan None 10.1021/jm030408h
None Unchecked Anti-fighting behaviour 4.13 None 10.1021/jm00171a037
None Unchecked Anti-pent effect 4.65 None 10.1021/jm00171a037
None Unchecked Clined screen test 3.56 None 10.1021/jm00171a037
None Unchecked Potency 35481.3 nM None
None Unchecked Ratio CC50/IC50 1.0 None 10.1016/j.bmcl.2008.05.065

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010508 CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21>>O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1 MNXR103683