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Compound Detail

CHEMBL1452781

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O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ncn[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1452781
Phase Preclinical
Structure Type MOL
InChI Key AAJFRQZOLGOAOP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.0
MW (Da)
3.22
ALogP
4
HBA
1
HBD
79.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H2Cl4N4O2
MW 351.96
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glyceraldehyde-3-phosphate dehydrogenase
CHEMBL2284
 IC50 5.28 5.28 5300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glyceraldehyde-3-phosphate dehydrogenase IC50 = 5300.0 nM 5.28 PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confi... -

Data from ChEMBL 36 via Core Engine