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Compound Detail

CHEMBL570655

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O=C(O)Cc1cs/c(=N\C(=O)S(=O)(=O)c2ccc3ccccc3c2)n1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL570655
Phase Preclinical
Structure Type MOL
InChI Key UIGUSOLCYULKAM-ICFOKQHNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
2.06
ALogP
7
HBA
2
HBD
126.0
PSA (Ų)
0.66
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 C16H12N2O6S2
MW 392.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Egl nine homolog 1
CHEMBL5697
 IC50 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Egl nine homolog 1 IC50 = 21.0 nM 7.68 Inhibition of human PHD2 at 293K temperature by solvent relaxation technique 20025281

Literature References

PubMed DOI Target Context # Activities
20025281 10.1021/jm901537q Egl nine homolog 1 2

Data from ChEMBL 36 via Core Engine