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Compound Detail

CHEMBL1707859

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C=C(c1ccc2[nH]c(NC(=O)OC)nc2c1)c1cccs1

Basic Information

ChEMBL ID CHEMBL1707859
Phase Preclinical
Structure Type MOL
InChI Key ZEABLLDFGWGWPV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
3.86
ALogP
4
HBA
2
HBD
67.0
PSA (Ų)
0.77
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 C15H13N3O2S
MW 299.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.34

Activity Summary

IC50 1 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor subfamily 0 group B member 1
CHEMBL1795094
IC50 5.57 5.57 2715.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine