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Compound Detail

CHEMBL1490692

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O=C(Nc1cccc(Cl)c1)c1cc(N=Nc2ccc([N+](=O)[O-])cc2Cl)ccc1O

Basic Information

ChEMBL ID CHEMBL1490692
Phase Preclinical
Structure Type MOL
InChI Key GDXQTBCVFFUYAF-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.2
MW (Da)
6.27
ALogP
6
HBA
2
HBD
117.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12Cl2N4O4
MW 431.24
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.71

Activity Summary

IC50 3 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NACHT, LRR and PYD domains-containing protein 3
CHEMBL1741208
IC50 6.25 6.06 566.0 2
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 5.8 5.8 1586.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine