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Compound Detail

CHEMBL1523213

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O=C(O)c1cc(-c2ccc(Cl)cc2Cl)[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1523213
Phase Preclinical
Structure Type MOL
InChI Key WCZPMEQHESUUAM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

257.1
MW (Da)
3.08
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6Cl2N2O2
MW 257.08
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 6.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL5979
 IC50 6.41 6.41 392.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alkaline phosphatase, tissue-nonspecific isozyme IC50 = 392.0 nM 6.41 PUBCHEM_BIOASSAY: SAR analysis of an In Vitro TNAP Dose Response Luminescent Ass... -

Data from ChEMBL 36 via Core Engine