Details of the Drug

General Information of Drug (ID: DMWABOJ)

Drug Name
Imidazo [1,2-a]pyridine compound 1
Synonyms PMID26882240-Compound-18
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 413.5
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C24H23N5O2
IUPAC Name
2-(4-nitrophenyl)-6-phenyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
Canonical SMILES
C1CN(CCN1)CC2=C(N=C3N2C=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]
InChI
InChI=1S/C24H23N5O2/c30-29(31)21-9-6-19(7-10-21)24-22(17-27-14-12-25-13-15-27)28-16-20(8-11-23(28)26-24)18-4-2-1-3-5-18/h1-11,16,25H,12-15,17H2
InChIKey
VFRSRPDPDQUSDK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
60203900
ChEBI ID
CHEMBL4291247
TTD ID
D04AQR
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hypoxia-inducible factor 1 (HIF-1) TTUX68I NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Hypoxia-inducible factor (HIF) inhibitors: a patent survey (2011-2015).Expert Opin Ther Pat. 2016;26(3):309-22.