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Compound Detail

CHEMBL1444114

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CC(C)(C)C(=O)OCc1nc(-c2ccc(O)c(O)c2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1444114
Phase Preclinical
Structure Type MOL
InChI Key CQLXFKNQNACMBP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.31
ALogP
6
HBA
2
HBD
79.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17NO4S
MW 307.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.63

Activity Summary

EC50 1 meas. best 5.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.86 5.86 1380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1380.0 nM 5.86 PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... -

Data from ChEMBL 36 via Core Engine