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Compound Detail

CHEMBL261843

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CCc1cc(-c2ccc3c(c2)CC(CC(=O)NCc2cnc(C)cn2)C3=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261843
Phase Preclinical
Structure Type MOL
InChI Key WPDBKJBYOYDOMI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
3.78
ALogP
5
HBA
2
HBD
92.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N3O3
MW 415.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.25

Literature References

PubMed DOI Target Context # Activities
18329273 10.1016/j.bmc.2008.02.059 17-beta-hydroxysteroid dehydrogenase type 1 2
18329273 10.1016/j.bmc.2008.02.059 17-beta-hydroxysteroid dehydrogenase type 2 1

Data from ChEMBL 36 via Core Engine