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Compound Detail

CHEMBL1928019

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O=S(=O)(c1ccccc1)n1nc(-c2ccc(CO)o2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL1928019
Phase Preclinical
Structure Type MOL
InChI Key FRBSVLWWRPDTSV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
3.03
ALogP
6
HBA
1
HBD
85.3
PSA (Ų)
0.61
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 C18H14N2O4S
MW 354.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.87

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 1300.0 nM 5.89 Inhibition of hypoxia-induced HIF-1 transcriptional activity by luciferase repor... 21937231

Literature References

PubMed DOI Target Context # Activities
21937231 10.1016/j.bmcl.2011.08.120 Unchecked 1

Data from ChEMBL 36 via Core Engine