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Compound Detail

CHEMBL1345528

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CC(Oc1ccc(Cl)cc1)c1ccnn1S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1345528
Phase Preclinical
Structure Type MOL
InChI Key ASRGVRPSBKQXAR-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.8
MW (Da)
3.91
ALogP
5
HBA
0
HBD
61.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN2O3S
MW 362.84
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.51

Activity Summary

EC50 1 meas. best 4.76
IC50 1 meas. best 4.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 4.76 4.76 17359.0 1
Unchecked
CHEMBL612545
 IC50 4.18 4.18 66426.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 17359.0 nM 4.76 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... -
Unchecked IC50 = 66426.0 nM 4.18 PubChem BioAssay. Counterscreen for exosite inhibitors of ADAM17: Fluorescence r... -

Data from ChEMBL 36 via Core Engine