Details of the Drug

General Information of Drug (ID: DMXRQS6)

Drug Name

AMG-8562

Synonyms

UNII-X2S52Z1DY9; X2S52Z1DY9; AMG-8562; AMG 8562; 1041478-78-7; SCHEMBL14993014; SCHEMBL14993018; 2-Propenamide, N-((2R)-2,3-dihydro-2-hydroxy-1H-inden-4-yl)-3-(2-(1-piperidinyl)-4-(trifluoromethyl)phenyl)-, (2E)-; (r,e)-n-(2-hydroxy-2,3-dihydro-1h-inden-4-yl)-3-(2-(piperidin-1-yl)-4 (trifluoromethyl)phenyl)acrylamide

Indication

Disease Entry	ICD 11	Status	REF
Pain	MG30-MG3Z	Terminated	[1]

Therapeutic Class

Analgesics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

430.5

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C24H25F3N2O2
IUPAC Name: (E)-N-[(2R)-2-hydroxy-2,3-dihydro-1H-inden-4-yl]-3-[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]prop-2-enamide
Canonical SMILES: C1CCN(CC1)C2=C(C=CC(=C2)C(F)(F)F)/C=C/C(=O)NC3=CC=CC4=C3C[C@@H](C4)O
InChI: InChI=1S/C24H25F3N2O2/c25-24(26,27)18-9-7-16(22(14-18)29-11-2-1-3-12-29)8-10-23(31)28-21-6-4-5-17-13-19(30)15-20(17)21/h4-10,14,19,30H,1-3,11-13,15H2,(H,28,31)/b10-8+/t19-/m1/s1
InChIKey: HAZYXDWNLMGLIS-LHUXKHBRSA-N

Cross-matching ID

PubChem CID: 56603667
CAS Number: 1041478-78-7
TTD ID: D07IEM

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)

MIA Detail

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 800020509)
2	Analgesic potential of TRPV1 antagonists. Biochem Pharmacol. 2009 Aug 1;78(3):211-6.