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Compound Detail

CHEMBL4580136

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Cc1sc2nc(SCC(=O)c3ccc(O)c(O)c3)nc(C)c2c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4580136
Phase Preclinical
Structure Type MOL
InChI Key YYQLIDOCLBDSSV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
4.00
ALogP
7
HBA
2
HBD
83.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16N2O3S2
MW 360.46
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 4.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Krueppel-like factor 10
CHEMBL3407312
 IC50 4.37 4.37 43000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Krueppel-like factor 10 IC50 = 43000.0 nM 4.37 Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in... -

Data from ChEMBL 36 via Core Engine