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]
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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

Repurposed Drugs (RPD)

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]

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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).