Details of the Drug

General Information of Drug (ID: DM5EWQN)

Drug Name
SB-210313
Synonyms SB-210313; CHEMBL14112; SCHEMBL4918397; HMS3303P01; HMS3305H01; BDBM50053424; NCGC00241904-01; AB01092380-01
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) 366.4
Logarithm of the Partition Coefficient (xlogp) 2.3
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C21H23FN4O
IUPAC Name
4-[3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
Canonical SMILES
C1COCCN1CCCN2C=NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H23FN4O/c22-19-4-2-17(3-5-19)20-21(18-6-8-23-9-7-18)26(16-24-20)11-1-10-25-12-14-27-15-13-25/h2-9,16H,1,10-15H2
InChIKey
ANWALZPQHPAZFO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9885504
ChEBI ID
CHEMBL14112
TTD ID
D00XOQ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Debrisoquine 4-hydroxylase (CYP2D6) TTVG215 CP2D6_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Pyrimidinylimidazole inhibitors of CSBP/p38 kinase demonstrating decreased inhibition of hepatic cytochrome P450 enzymes. Bioorg Med Chem Lett. 1998 Nov 17;8(22):3111-6.