Details of the Drug

General Information of Drug (ID: DM0JI2L)

• Drug Name: N-phenyl-2,3,4-trihydroxy-5-benzyl-benzamide
• Synonyms: CHEMBL214965; N-phenyl-2,3,4-trihydroxy-5-benzyl-benzamide; SCHEMBL15313847

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); 335.4
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H17NO4
  IUPAC Name: 5-benzyl-2,3,4-trihydroxy-N-phenylbenzamide
  Canonical SMILES: C1=CC=C(C=C1)CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=CC=C3
  InChI: InChI=1S/C20H17NO4/c22-17-14(11-13-7-3-1-4-8-13)12-16(18(23)19(17)24)20(25)21-15-9-5-2-6-10-15/h1-10,12,22-24H,11H2,(H,21,25)
  InChIKey: QFCGWKILQYTRID-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 16090304
  TTD ID: D04RTY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Apoptosis regulator Bcl-2 (BCL-2)	TTJGNVC	BCL2_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
Apoptosis regulator Bcl-2 (BCL-2)	DTT	BCL2	2.52E-02	0.17	0.72

References

• [1] Structure-based design of potent small-molecule inhibitors of anti-apoptotic Bcl-2 proteins. J Med Chem. 2006 Oct 19;49(21):6139-42.