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Compound Detail

CHEMBL1324620

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O=C(Nc1ncccc1O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1

Basic Information

ChEMBL ID CHEMBL1324620
Phase Preclinical
Structure Type MOL
InChI Key GMQBNARTYNFYJZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
2.60
ALogP
5
HBA
2
HBD
99.6
PSA (Ų)
0.86
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 C18H21N3O4S
MW 375.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.73

Activity Summary

IC50 1 meas. best 4.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nuclear receptor subfamily 0 group B member 1
CHEMBL1795094
IC50 4.5 4.5 31745.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine