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]
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
ChEBI ID
CHEMBL279416
CAS Number
180869-32-3
TTD ID
D0W0AM
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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 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) 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.