Details of the Drug

General Information of Drug (ID: DMFAG8W)

Drug Name
AZD1386
Synonyms azd1386; 946080-23-5; AZD-1386; KB-270807; AZD 1386; SCHEMBL4257077; GTPL7820; CHEMBL3545039; AZ12457709
Indication
Disease Entry ICD 11 Status REF
Esophagus sensitivity DA2Y-DA2Z Discontinued in Phase 2 [1]
Gastroesophageal reflux disease DA22.Z Discontinued in Phase 2 [1]
Therapeutic Class
Analgesics
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 423.8
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C19H13ClF3N3O3
IUPAC Name
5'-chloro-7'-methyl-1'-[[3-(trifluoromethyl)phenyl]methyl]spiro[imidazolidine-5,3'-indole]-2,2',4-trione
Canonical SMILES
CC1=CC(=CC2=C1N(C(=O)C23C(=O)NC(=O)N3)CC4=CC(=CC=C4)C(F)(F)F)Cl
InChI
InChI=1S/C19H13ClF3N3O3/c1-9-5-12(20)7-13-14(9)26(16(28)18(13)15(27)24-17(29)25-18)8-10-3-2-4-11(6-10)19(21,22)23/h2-7H,8H2,1H3,(H2,24,25,27,29)
InChIKey
DXDVSYALLVVBOV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
24752296
UNII
210323T9CP
DrugBank ID
DB15333
TTD ID
D04PMM
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Transient receptor potential cation channel V1 (TRPV1) TTMI6F5 TRPV1_HUMAN Blocker [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: 7820).
2 Clinical pipeline report, company report or official report of AstraZeneca (2009).