Details of the Drug

General Information of Drug (ID: DMDCTNU)

Drug Name

Phenyl-(3-phenyl-1H-indazol-6-yl)-amine

Synonyms

CHEMBL383177; N,3-diphenyl-1H-indazol-6-amine; Phenyl-(3-phenyl-1H-indazol-6-yl)-amine; SCHEMBL6582340

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

285.3

Topological Polar Surface Area (xlogp)

4.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H15N3
IUPAC Name: N,3-diphenyl-1H-indazol-6-amine
Canonical SMILES: C1=CC=C(C=C1)C2=NNC3=C2C=CC(=C3)NC4=CC=CC=C4
InChI: InChI=1S/C19H15N3/c1-3-7-14(8-4-1)19-17-12-11-16(13-18(17)21-22-19)20-15-9-5-2-6-10-15/h1-13,20H,(H,21,22)
InChIKey: UCZOJYXXXUINID-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Stress-activated protein kinase 2a (p38 alpha)	TTQBR95	MK14_HUMAN	Inhibitor	[1]
Stress-activated protein kinase JNK3 (JNK3)	TT056SO	MK10_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Stress-activated protein kinase 2a (p38 alpha)	DTT	MAPK14	7.98E-04	1.33	2.48

Molecular Expression Atlas (MEA)

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References

1	Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3. Bioorg Med Chem Lett. 2005 Nov 15;15(22):5095-9.
2	c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.
3	Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
4	Efficacy, pharmacodynamics, and safety of VX-702, a novel p38 MAPK inhibitor, in rheumatoid arthritis: results of two randomized, double-blind, placebo-controlled clinical studies. Arthritis Rheum. 2009 May;60(5):1232-41.
5	Pharmacological inhibitors of MAPK pathways. Trends Pharmacol Sci. 2002 Jan;23(1):40-5.