Details of the Drug

General Information of Drug (ID: DMNH8XU)

Drug Name

SB 235699

Synonyms

4-(4-(4-Fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)pyridine; VK-19911; CHEMBL279416; UNII-NP7J08ZRYY; NP7J08ZRYY; 180869-32-3; SCHEMBL140202; HEP 689; sb235699; BDBM50099331; SB-235699; 4-(5-(4-Fluorophenyl)-3-(4-piperidyl)imidazol-4-yl)pyridine; 4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)pyridine; Pyridine, 4-(4-(4-fluorophenyl)-1-(4-piperidinyl)-1H-imidazol-5-yl)-

Indication

Disease Entry	ICD 11	Status	REF
Psoriasis vulgaris	EA90	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

322.4

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C19H19FN4
IUPAC Name: 4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyridine
Canonical SMILES: C1CNCCC1N2C=NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F
InChI: InChI=1S/C19H19FN4/c20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17/h1-6,9-10,13,17,22H,7-8,11-12H2
InChIKey: QBACMJFLMUCPNA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9797240
CAS Number: 180869-32-3
TTD ID: D0W0AM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MAP kinase p38 (MAPK12)	TTYT93M	MK12_HUMAN	Inhibitor	[2]
Stress-activated protein kinase 2a (p38 alpha)	TTQBR95	MK14_HUMAN	Inhibitor	[3]
Stress-activated protein kinase 2b (p38 beta)	TT73U6C	MK11_HUMAN	Inhibitor	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Psoriasis vulgaris

ICD Disease Classification

EA90

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

Jump to Detail Molecular Expression 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 800012315)
2	Synthesis and structure-activity relationship of aminobenzophenones. A novel class of p38 MAP kinase inhibitors with high antiinflammatory activity. J Med Chem. 2003 Dec 18;46(26):5651-62.
3	Pharmacological inhibitors of MAPK pathways. Trends Pharmacol Sci. 2002 Jan;23(1):40-5.