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Compound Detail

CHEMBL255190

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CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OC(=O)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255190
Phase Preclinical
Structure Type MOL
InChI Key ISOOJPSEFTYBDG-JFLMPSFJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.9
MW (Da)
5.04
ALogP
6
HBA
1
HBD
86.2
PSA (Ų)
0.22
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23ClN2O5
MW 466.92
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.32

Activity Summary

IC50 1 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
11-beta-hydroxysteroid dehydrogenase 1
CHEMBL4235
 IC50 5.73 5.73 1850.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 1850.0 nM 5.73 Inhibition of human 11beta-HSD1 18242087

Literature References

PubMed DOI Target Context # Activities
18242087 10.1016/j.bmcl.2008.01.020 11-beta-hydroxysteroid dehydrogenase 1 1

Data from ChEMBL 36 via Core Engine