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Compound Detail

CHEMBL260420

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CCOC(=O)C(C)(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)ccc12

Basic Information

ChEMBL ID CHEMBL260420
Phase Preclinical
Structure Type MOL
InChI Key RZOWMIBYDGMCIP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
3.13
ALogP
8
HBA
1
HBD
105.1
PSA (Ų)
0.53
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 C25H26N2O7
MW 466.49
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Steroidogenic factor 1
CHEMBL4666
IC50 6.23 6.23 590.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Steroidogenic factor 1 IC50 = 590.0 nM 6.23 Inhibition of GAL4-tagged NR5A1 by luciferase assay 18374567

Literature References

PubMed DOI Target Context # Activities
18374567 10.1016/j.bmcl.2008.03.027 Steroidogenic factor 1 1
18374567 10.1016/j.bmcl.2008.03.027 Unchecked 1
18374567 10.1016/j.bmcl.2008.03.027 Nuclear receptor ROR-alpha 1

Data from ChEMBL 36 via Core Engine