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Compound Detail

CHEMBL2001792

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CC(=O)Nc1cc(/N=C/c2ccc(O)cc2O)c(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2001792
Phase Preclinical
Structure Type MOL
InChI Key FHOUBXSESZDGTK-CNHKJKLMSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

339.2
MW (Da)
4.11
ALogP
4
HBA
3
HBD
81.9
PSA (Ų)
0.74
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 C15H12Cl2N2O3
MW 339.18
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.86

Activity Summary

EC50 1 meas. best 4.34
IC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.8 4.8 16002.0 1
Unchecked
CHEMBL612545
 EC50 4.34 4.34 45330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 16002.0 nM 4.8 PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... -
Unchecked EC50 = 45330.0 nM 4.34 PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... -

Data from ChEMBL 36 via Core Engine