Details of the Drug

General Information of Drug (ID: DM2W4IQ)

Drug Name

A-795614

Synonyms

CHEMBL520995; A-795614; SCHEMBL1862020; BDBM50264581; (R)-1-(1H-indazol-4-yl)-3-(5-(piperidin-1-yl)-2,3-dihydro-1H-inden-1-yl)urea

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

375.5

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C22H25N5O
IUPAC Name: 1-(1H-indazol-4-yl)-3-[(1R)-5-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]urea
Canonical SMILES: C1CCN(CC1)C2=CC3=C(C=C2)[C@@H](CC3)NC(=O)NC4=CC=CC5=C4C=NN5
InChI: InChI=1S/C22H25N5O/c28-22(24-19-5-4-6-21-18(19)14-23-26-21)25-20-10-7-15-13-16(8-9-17(15)20)27-11-2-1-3-12-27/h4-6,8-9,13-14,20H,1-3,7,10-12H2,(H,23,26)(H2,24,25,28)/t20-/m1/s1
InChIKey: SVYGRCSOIPQXGO-HXUWFJFHSA-N

Cross-matching ID

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	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Tetrahydropyridine-4-carboxamides as novel, potent transient receptor potential vanilloid 1 (TRPV1) antagonists. Bioorg Med Chem. 2008 Sep 15;16(18):8516-25.