Details of the Drug

General Information of Drug (ID: DMD8TWC)

Drug Name
dibenzoxazepine
Synonyms CR gas
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 195.22
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C13H9NO
IUPAC Name
benzo[d][1,2]benzoxazepine
Canonical SMILES
C1=CC=C2C(=C1)C=NOC3=CC=CC=C23
InChI
InChI=1S/C13H9NO/c1-2-6-11-10(5-1)9-14-15-13-8-4-3-7-12(11)13/h1-9H
InChIKey
RVSGRNKUJJUAPV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
66624158
TTD ID
D09SVQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Transformation-sensitive protein p120 (TRPA1) TTELV3W TRPA1_HUMAN Activator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6472).
2 Tear gasses CN, CR, and CS are potent activators of the human TRPA1 receptor. Toxicol Appl Pharmacol. 2008 Sep 1;231(2):150-6.