Details of the Drug

General Information of Drug (ID: DMC3UYH)

• Drug Name: 2,3-diphenyl-1H-indole
• Synonyms: 2,3-Diphenylindole; 2,3-Diphenyl-1H-indole; 3469-20-3; 1H-Indole, 2,3-diphenyl-; CHEMBL200719; GYGKJNGSQQORRG-UHFFFAOYSA-N; Indole, 2,3-diphenyl-; NSC17363; EINECS 222-432-0; Indole,3-diphenyl-; Cyto5A2; AC1Q1HUE; 1H-Indole,3-diphenyl-; AC1Q4W1P; AC1L2S6L; Oprea1_738570; 2,3-Diphenyl-1H-indole #; SCHEMBL3864662; CTK1C3291; KS-00000FNK; DTXSID50188241; MolPort-001-804-408; ZINC1036850; STK080838; BDBM50175411; RW3400; NSC-17363; CCG-46312; AKOS001022174; ACM3469203; MCULE-8938765915; VI30149; ACN-036136; 7J-655S; QC-2111; CC-07034; AK-81890

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); 269.3
  Logarithm of the Partition Coefficient (xlogp); 5.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 0
• Chemical Identifiers:
  Formula: C20H15N
  IUPAC Name: 2,3-diphenyl-1H-indole
  Canonical SMILES: C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
  InChI: InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
  InChIKey: GYGKJNGSQQORRG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 77020
  CAS Number: 3469-20-3
  TTD ID: D0P7PK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Inhibitor	[1]
Estrogen receptor beta (ESR2)	TTOM3J0	ESR2_HUMAN	Inhibitor	[1]

References

• [1] Estrogen receptor beta selective ligands: discovery and SAR of novel heterocyclic ligands. Bioorg Med Chem Lett. 2005 Dec 15;15(24):5562-6.