Details of the Drug

General Information of Drug (ID: DMANTCY)

Drug Name

2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole

Synonyms

2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole; SCHEMBL1407219; CHEMBL464189; BDBM26064; LGRUCHCYEMOENE-UHFFFAOYSA-N; 2-benzyl-3-aryl-7-trifluoromethylindazole, 5

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): 1

Molecular Weight (mw)

352.4

Logarithm of the Partition Coefficient (xlogp)

5.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C21H15F3N2
IUPAC Name: 2-benzyl-3-phenyl-7-(trifluoromethyl)indazole
Canonical SMILES: C1=CC=C(C=C1)CN2C(=C3C=CC=C(C3=N2)C(F)(F)F)C4=CC=CC=C4
InChI: InChI=1S/C21H15F3N2/c22-21(23,24)18-13-7-12-17-19(18)25-26(14-15-8-3-1-4-9-15)20(17)16-10-5-2-6-11-16/h1-13H,14H2
InChIKey: LGRUCHCYEMOENE-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 25137977
TTD ID: D0Z8RH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Oxysterols receptor LXR-alpha (NR1H3)	TTECBXN	NR1H3_HUMAN	Inhibitor	[1]
Oxysterols receptor LXR-beta (NR1H2)	TTXA6PH	NR1H2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Indazole-based liver X receptor (LXR) modulators with maintained atherosclerotic lesion reduction activity but diminished stimulation of hepatic tr... J Med Chem. 2008 Nov 27;51(22):7161-8.