Details of the Drug

General Information of Drug (ID: DMJOD1T)

• Drug Name: 3-Phenylcyclopentanecarboxylic acid
• Synonyms: 3-Phenylcyclopentanecarboxylic acid; 91495-75-9; 3-phenylcyclopentane-1-carboxylic acid; CHEMBL554283; 3-phenyl-cyclopentanecarboxylic acid; SCHEMBL1073107; CTK3I5725; DTXSID80605012; MolPort-020-002-441; BDBM50293437; CP-858; Cyclopentanecarboxylicacid, 3-phenyl-; 3-phenyl-1-cyclopentanecarboxylic acid; AKOS022536861; A843950

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 190.24
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C12H14O2
  IUPAC Name: 3-phenylcyclopentane-1-carboxylic acid
  Canonical SMILES: C1CC(CC1C2=CC=CC=C2)C(=O)O
  InChI: InChI=1S/C12H14O2/c13-12(14)11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
  InChIKey: IWOLSKRVZNXDNU-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 20313173
  CAS Number: 91495-75-9
  TTD ID: D0Z0IR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dihydrodiol dehydrogenase type I (AKR1C3)	TT5ZWB6	AK1C3_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Dihydrodiol dehydrogenase type I (AKR1C3)	DTT	AKR1C3	4.06E-01	1.39	0.74

References

• [1] New cyclopentane derivatives as inhibitors of steroid metabolizing enzymes AKR1C1 and AKR1C3. Eur J Med Chem. 2009 Jun;44(6):2563-71.