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Compound Detail

CHEMBL1359585

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CN(C)C1=C(Cl)C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1359585
Phase Preclinical
Structure Type MOL
InChI Key XYQRZBWTTOIECA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

295.7
MW (Da)
1.48
ALogP
5
HBA
0
HBD
83.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10ClN3O4
MW 295.68
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.63

Activity Summary

IC50 1 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bcl-2-related protein A1
CHEMBL1293239
 IC50 5.64 5.64 2300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bcl-2-related protein A1 IC50 = 2300.0 nM 5.64 PUBCHEM_BIOASSAY: In Vitro Bfl-1 Dose Response Fluorescence Polarization Assay f... -

Data from ChEMBL 36 via Core Engine