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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL200719
CAS Number
3469-20-3
TTD ID
D0P7PK
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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]
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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.