Details of the Drug

General Information of Drug (ID: DMOQZIW)

• Drug Name: PF-3052334
• Synonyms: PF-3052334; SCHEMBL3959323

Indication

Disease Entry	ICD 11	Status	REF
Arteriosclerosis	BD40	Discontinued in Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 533.6
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 12
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 7
• Chemical Identifiers:
  Formula: C28H33FN3NaO5
  IUPAC Name: sodium;(3R,5R)-7-[2-(4-fluorophenyl)-5-[(4-methylphenyl)methylcarbamoyl]-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyheptanoate
  Canonical SMILES: CC1=CC=C(C=C1)CNC(=O)C2=NN(C(=C2C(C)C)CC[C@H](C[C@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F.[Na+]
  InChI: InChI=1S/C28H34FN3O5.Na/c1-17(2)26-24(13-12-22(33)14-23(34)15-25(35)36)32(21-10-8-20(29)9-11-21)31-27(26)28(37)30-16-19-6-4-18(3)5-7-19;/h4-11,17,22-23,33-34H,12-16H2,1-3H3,(H,30,37)(H,35,36);/q;+1/p-1/t22-,23-;/m1./s1
  InChIKey: VEGKDAAILHTMLD-OHIDFYLOSA-M
• Cross-matching ID:
  PubChem CID: 24742042
  TTD ID: D0MF7U
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
HMG-CoA reductase (HMGCR)	TTPADOQ	HMDH_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Arteriosclerosis
• ICD Disease Classification: BD40

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
HMG-CoA reductase (HMGCR)	DTT	HMGCR	1.01E-05	0.65	1.53

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 800025539)
• [2] Substituted pyrazoles as hepatoselective HMG-CoA reductase inhibitors: discovery of (3R,5R)-7-[2-(4-fluoro-phenyl)-4-isopropyl-5-(4-methyl-benzylca... J Med Chem. 2008 Jan 10;51(1):31-45.