Details of the Drug

General Information of Drug (ID: DM3UBR5)

Drug Name
6-phenyl-3-(pyridin-4-yl)-1H-indole
Synonyms CHEMBL207621; 6-phenyl-3-(pyridin-4-yl)-1H-indole
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): 0 Molecular Weight (mw) 270.3
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C19H14N2
IUPAC Name
6-phenyl-3-pyridin-4-yl-1H-indole
Canonical SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)C(=CN3)C4=CC=NC=C4
InChI
InChI=1S/C19H14N2/c1-2-4-14(5-3-1)16-6-7-17-18(13-21-19(17)12-16)15-8-10-20-11-9-15/h1-13,21H
InChIKey
QPUYBWAAFGEKSG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44410733
ChEBI ID
CHEMBL207621
TTD ID
D02YMQ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2) TTTB4UP IMDH2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships. Bioorg Med Chem Lett. 2006 May 1;16(9):2539-42.