Details of the Drug

General Information of Drug (ID: DMOWLVF)

Drug Name
NGD-8243
Synonyms SCHEMBL17320582
Indication
Disease Entry ICD 11 Status REF
Acute or chronic pain MG30-MG31 Discontinued in Phase 2 [1]
Therapeutic Class
Analgesics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 434.3
Logarithm of the Partition Coefficient (xlogp) 5.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C21H12F6N4
IUPAC Name
N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine
Canonical SMILES
C1=CC(=C(N=C1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC=C(C=C4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31)
InChIKey
VTANGSDRFFLTSQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11247522
ChEBI ID
CHEMBL214796
CAS Number
573678-04-3
TTD ID
D0Z0PB
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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 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800023970)
2 Analgesic potential of TRPV1 antagonists. Biochem Pharmacol. 2009 Aug 1;78(3):211-6.