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]
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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

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]

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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.