BDBM83789 MLS000718916::N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-5-nitro-2-furancarboxamide::N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-5-nitro-furan-2-carboxamide::N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-5-nitrofuran-2-carboxamide::N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-5-nitro-2-furamide::SMR000291184::cid_3161537

SMILES COC1(C(F)(F)F)CCN(c2ncnc3c2c2ccc([S@SP1](=O)(=O)NC4(C#N)CC4)cc2n3-c2nnc(C(F)F)s2)CC1

InChI Key InChIKey=IGHACNHFXFQMMR-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 83789   

TargetPoly(ADP-ribose) glycohydrolase(Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 83789BDBM83789(N-(1-Cyanocyclopropyl)-9-(5- (difluoromethyl)-1,3,...)
Affinity DataIC50: 0.000100nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent