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Compound Detail

CHEMBL1546264

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COc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1O

Basic Information

ChEMBL ID CHEMBL1546264
Phase Preclinical
Structure Type MOL
InChI Key QZQICDMSOGFHGN-XYOKQWHBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
4.03
ALogP
5
HBA
2
HBD
79.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15NO4S
MW 341.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.52

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Female germline-specific tumor suppressor gld-1
CHEMBL1293302
IC50 5.62 5.62 2427.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine