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Compound Detail

CHEMBL6006399

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CC(C)N1CN(C2c3ccccc3CSc3c(Cl)cccc32)n2ccc(=O)c(O)c2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6006399
Phase Preclinical
Structure Type MOL
InChI Key MYVMSODDHIRLNC-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.0
MW (Da)
4.36
ALogP
6
HBA
1
HBD
65.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22ClN3O3S
MW 467.98
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.42

Activity Summary

EC50 1 meas. best 8.3
IC50 1 meas. best 7.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 8.3 8.3 5.0 1
Unchecked
CHEMBL612545
 IC50 7.37 7.37 43.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 5.0 nM 8.3 CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture... -
Unchecked IC50 = 43.0 nM 7.37 CPE Inhibitory Effect Confirming Assay: A test sample was diluted with a culture... -

Data from ChEMBL 36 via Core Engine