Details of the Drug

General Information of Drug (ID: DM2VIDK)

• Drug Name: Triphenylacetic acid methyl ester
• Synonyms: methyl triphenylacetate; methyl 2,2,2-triphenylacetate; 5467-21-0; triphenylacetic acid methyl ester; CHEMBL270495; 2-TRIPHENYL METHYL ACETIC ACID; NSC28082; methyl triphenyl-acetate; AC1Q5YRI; SCHEMBL7258414; AC1L5M42; CTK5A2196; DTXSID30282812; ZPGOQUZHRVSLML-UHFFFAOYSA-N; ZINC4696706; BDBM50371380; NSC-28082; Benzeneacetic acid, a,a-diphenyl-, methyl ester; benzeneacetic acid, .alpha.,.alpha.-diphenyl-, methyl ester

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); 302.4
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C21H18O2
  IUPAC Name: methyl 2,2,2-triphenylacetate
  Canonical SMILES: COC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
  InChI: InChI=1S/C21H18O2/c1-23-20(22)21(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19/h2-16H,1H3
  InChIKey: ZPGOQUZHRVSLML-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 231627
  CAS Number: 5467-21-0
  TTD ID: D0F7DQ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium-activated potassium channel (KCN)	TTMNI76	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Novel inhibitors of the Gardos channel for the treatment of sickle cell disease. J Med Chem. 2008 Feb 28;51(4):976-82.