Details of the Drug

General Information of Drug (ID: DMB4MJ0)

Drug Name
US9353089, 327
Synonyms CHEMBL2011967; SCHEMBL7536669; SCHEMBL8237937; BDBM234554; BDBM50379882; US9353089, 327
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 371.4
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C23H21N3O2
IUPAC Name
2-amino-5-[3-(3-methoxyphenyl)phenyl]-3-methyl-5-phenylimidazol-4-one
Canonical SMILES
CN1C(=O)C(N=C1N)(C2=CC=CC=C2)C3=CC=CC(=C3)C4=CC(=CC=C4)OC
InChI
InChI=1S/C23H21N3O2/c1-26-21(27)23(25-22(26)24,18-10-4-3-5-11-18)19-12-6-8-16(14-19)17-9-7-13-20(15-17)28-2/h3-15H,1-2H3,(H2,24,25)
InChIKey
LRYKHTDVFXMHEH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11581511
ChEBI ID
CHEMBL2011967
TTD ID
D0QX1S
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Plasmepsin 2 (Malaria PLA2) TTXMNHO PLM2_PLAFA Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Compositions and methods for the treatment of malaria. US9353089.