Details of the Drug

General Information of Drug (ID: DMX4WI7)

Drug Name
BPH-652
Synonyms FX24B-04652; Dehydrosqualene synthase inhibitor (MRSA), AuricX
Indication
Disease Entry ICD 11 Status REF
Hypercholesterolaemia 5C80.0 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 500.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C16H16K3O7PS
IUPAC Name
tripotassium;4-(3-phenoxyphenyl)-1-phosphonatobutane-1-sulfonate
Canonical SMILES
C1=CC=C(C=C1)OC2=CC=CC(=C2)CCCC(P(=O)([O-])[O-])S(=O)(=O)[O-].[K+].[K+].[K+]
InChI
InChI=1S/C16H19O7PS.3K/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14;;;/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22);;;/q;3*+1/p-3
InChIKey
DRADVLDMPYYQDB-UHFFFAOYSA-K
Cross-matching ID
PubChem CID
16730264
TTD ID
D0PP5M

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Squalene synthetase (FDFT1) TTFQEO5 FDFT_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Hypercholesterolaemia
ICD Disease Classification 5C80.0
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Squalene synthetase (FDFT1) DTT FDFT1 7.85E-01 -0.09 -0.38
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 645).