Details of the Drug

General Information of Drug (ID: DM1MQ6Z)

Drug Name

SC-102

Synonyms

4-[3-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]pyridine; 3hvc; GG5; SCHEMBL1554633; CHEMBL1233024; BDBM19429; BILJSHVAAVZERY-UHFFFAOYSA-N; ZINC16052350; DB07829; 5-(4-Fluorophenyl)-4-(pyridin-4-yl)pyrazole; 4-[3-(4-Fluorophenyl)-1H-pyrazole-4-yl]pyridine; 4-(3-(4-fluorophenyl)-1h-pyrazol-4-yl); SC-102; SPC-0038B; SPC-0172; Temoporfin derivatives (cancer); Temoporfin derivatives (cancer), Scotia Holdings; 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Terminated	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

239.25

Topological Polar Surface Area (xlogp)

2.5

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H10FN3
IUPAC Name: 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]pyridine
Canonical SMILES: C1=CC(=CC=C1C2=C(C=NN2)C3=CC=NC=C3)F
InChI: InChI=1S/C14H10FN3/c15-12-3-1-11(2-4-12)14-13(9-17-18-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)
InChIKey: BILJSHVAAVZERY-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 12106168
DrugBank ID: DB07829
TTD ID: D0O7BW

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	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Solid tumour/cancer

ICD Disease Classification

2A00-2F9Z

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)

MEA Detail

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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 800016901)
2	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
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.
6	c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.