CHLORDIAZEPOXIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1960)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N05BA02
UNII: 6RZ6XEZ3CR

Structure
InChI Key ANTSCNMPPGJYLG-UHFFFAOYSA-N
Smile CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1
InChI
InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9H,10H2,1H3,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H14ClN3O
Molecular Weight 299.76
AlogP 2.95
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 50.46
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA-A receptor; anion channel positive allosteric modulator PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel GABA-A receptor
- 200-910 - 275-740 74-75
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 4-35
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Cholecystokinin receptor
- 100000 - - -
Membrane receptor
- 100000 - 438 -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 25000-44100 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alcoholism 4 D000437 ClinicalTrials
Substance Withdrawal Syndrome 3 D013375 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials

Related Entries

Scaffolds

Salt
Mixture
Mixture

Cross References

Resources Reference
CAS NUMBER 58-25-3
ChEBI 3611
ChEMBL CHEMBL451
DrugBank DB00475
DrugCentral 594
EPA CompTox DTXSID4046022
FDA SRS 6RZ6XEZ3CR
Human Metabolome Database HMDB0014618
Guide to Pharmacology 3370
SureChEMBL SCHEMBL18474
ZINC ZINC000019632917
CONTENTS