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Compound Detail

CHEMBL5413332

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NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5413332
Phase Preclinical
Structure Type MOL
InChI Key HOWOGNPRBJCYLY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

511.4
MW (Da)
6.58
ALogP
4
HBA
2
HBD
81.4
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20Cl2N2O3S
MW 511.43
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.46

Activity Summary

EC50 1 meas. best 7.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ES-2
CHEMBL5058622
 EC50 7.33 7.33 47.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ES-2 EC50 = 47.0 nM 7.33 Cytotoxicity against human ES2 cells after 72 hrs by InuCyte live cell imaging a... -

Data from ChEMBL 36 via Core Engine