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Compound Detail

CHEMBL4438675

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Cl.NCc1ccc(S(=O)(=O)c2cccc(C(=O)NCCO)c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4438675
Phase Preclinical
Structure Type MOL
InChI Key OFADNGVMIZPFCN-UHFFFAOYSA-N
Parent Compound CHEMBL4596703
Active Moiety CHEMBL4596703
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
0.76
ALogP
6
HBA
3
HBD
109.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17ClN2O4S2
MW 376.89
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.70

Activity Summary

IC50 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.13 6.13 740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 740.0 nM 6.13 Inhibition of pig skin LOX incubated for 45 mins by Amplex red dye based and HRP... -

Data from ChEMBL 36 via Core Engine