Details of the Drug

General Information of Drug (ID: DM6NC8G)

• Drug Name: N-(2-(1H-Indol-3-yl)ethyl)biphenyl-4-carboxamide
• Synonyms: CHEMBL521733; N-(2-(1H-Indol-3-yl)ethyl)biphenyl-4-carboxamide; N-[2-(1H-indol-3-yl)ethyl]biphenyl-4-carboxamide; AC1LG1FS; Oprea1_829316; Oprea1_192683; MolPort-001-987-537; ZINC285233; STK129364; BDBM50272836; AKOS000554028; MCULE-1062167425; NCGC00304458-01; BAS 03049800; ST45172084; AB01300868-01; N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzamide; N-(2-indol-3-ylethyl)(4-phenylphenyl)carboxamide; Biphenyl-4-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-amide

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); 340.4
  Logarithm of the Partition Coefficient (xlogp); 5.1
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C23H20N2O
  IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]-4-phenylbenzamide
  Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCC3=CNC4=CC=CC=C43
  InChI: InChI=1S/C23H20N2O/c26-23(19-12-10-18(11-13-19)17-6-2-1-3-7-17)24-15-14-20-16-25-22-9-5-4-8-21(20)22/h1-13,16,25H,14-15H2,(H,24,26)
  InChIKey: GYEGDDXJVFNDOP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 787236
  TTD ID: D03VDM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 4 (CDK4)	TT0PG8F	CDK4_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
Cyclin-dependent kinase 4 (CDK4)	DTT	CDK4	3.30E-72	0.65	2.39

References

• [1] Design, synthesis and biological evaluation of new tryptamine and tetrahydro-beta-carboline-based selective inhibitors of CDK4. Bioorg Med Chem. 2008 Aug 15;16(16):7728-39.