Details of the Drug

General Information of Drug (ID: DMVSTG7)

• Drug Name: 2-[(2,2-diphenylacetyl)amino]benzoic acid
• Synonyms: 2-[(2,2-diphenylacetyl)amino]benzoic Acid; CHEMBL196755; 2-[(diphenylacetyl)amino]benzoic acid; Oprea1_593830; Oprea1_339985; MLS001143352; AC1N2C22; MolPort-001-015-645; HMS2781B19; ZINC3466236; BDBM50174204; STK004896; AKOS003244646; MCULE-3235692188; 2-(2,2-diphenylacetylamino)benzoic acid; SMR000473187

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 331.4
  Logarithm of the Partition Coefficient (xlogp); 5.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C21H17NO3
  IUPAC Name: 2-[(2,2-diphenylacetyl)amino]benzoic acid
  Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)O
  InChI: InChI=1S/C21H17NO3/c23-20(22-18-14-8-7-13-17(18)21(24)25)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)(H,24,25)
  InChIKey: NDZQPXFPOCTXEF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 4044373
  ChEBI ID: CHEMBL196755
  TTD ID: D03POE
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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] Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of ant... Bioorg Med Chem Lett. 2005 Dec 1;15(23):5170-5.