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Compound Detail

CHEMBL1325413

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CCOC(=O)c1sc(NC(=O)c2cc3c(s2)CCC(C)C3)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1325413
Phase Preclinical
Structure Type MOL
InChI Key UXLGMFOQRQCWAU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
4.07
ALogP
6
HBA
1
HBD
68.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N2O3S2
MW 364.49
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -2.13

Activity Summary

IC50 1 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Krueppel-like factor 5
CHEMBL1293249
 IC50 6.96 6.96 109.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Krueppel-like factor 5 IC50 = 109.03 nM 6.96 PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... -

Data from ChEMBL 36 via Core Engine