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Compound Detail

CHEMBL256790

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COc1cccc(C(=O)COC(=O)c2ccccc2NC(=O)c2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL256790
Phase Preclinical
Structure Type MOL
InChI Key PJEBHQJNQWEKIY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
3.99
ALogP
5
HBA
1
HBD
81.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19NO5
MW 389.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
11-beta-hydroxysteroid dehydrogenase 1
CHEMBL4235
IC50 5.2 5.2 6280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
11-beta-hydroxysteroid dehydrogenase 1 IC50 = 6280.0 nM 5.2 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