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Compound Detail

CHEMBL45795

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C=C(CC1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL45795
Phase Preclinical
Structure Type MOL
InChI Key QLWXIIXUBSZUOE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
5.52
ALogP
5
HBA
1
HBD
56.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27NO4
MW 405.49
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.68

Literature References

PubMed DOI Target Context # Activities
15026058 10.1016/j.bmcl.2004.01.044 Glucocorticoid receptor 5
15026058 10.1016/j.bmcl.2004.01.044 Progesterone receptor 1

Data from ChEMBL 36 via Core Engine