Details of the Drug

General Information of Drug (ID: DM8MWFZ)

Drug Name
SKF-104351
Synonyms
111908-94-2; Skf 104351; F 104351; 5H-Pyrrolo[1,2-a]imidazole,2-(4-fluorophenyl)-6,7-dihydro-3-(4-pyridinyl)-; 2-(4-fluorophenyl)-3-(4-pyridyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole; F-104351; AC1L3V0R; SCHEMBL7378515; DTXSID90149775; GJFVAEMLAFFGDZ-UHFFFAOYSA-N; ZINC3815711; 5H-Pyrrolo(1,2-a)imidazole, 2-(4-fluorophenyl)-6,7-dihydro-3-(4-pyridinyl)-; KB-292516; 2-p-Fluorophenyl-3-(4-pyridyl)-6,7-dihydro[5H]-pyrrolo[1,2-a]imidazole
Indication
Disease Entry ICD 11 Status REF
Rheumatoid arthritis FA20 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 279.31
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H14FN3
IUPAC Name
2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
Canonical SMILES
C1CC2=NC(=C(N2C1)C3=CC=NC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C17H14FN3/c18-14-5-3-12(4-6-14)16-17(13-7-9-19-10-8-13)21-11-1-2-15(21)20-16/h3-10H,1-2,11H2
InChIKey
GJFVAEMLAFFGDZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
122656
CAS Number
111908-94-2
TTD ID
D09SCI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Arachidonate 5-lipoxygenase (5-LOX) TT2J34L LOX5_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Rheumatoid arthritis
ICD Disease Classification FA20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Arachidonate 5-lipoxygenase (5-LOX) DTT ALOX5 4.15E-01 -0.06 -0.15
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 800000933)
2 WO patent application no. 2006,1317,37, Method and composition for treating inflammatory disorders.