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Compound Detail

CHEMBL3741346

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CC12CC3CC(NC(=O)C4CCCCC4)(CC(C1)c1ccccc13)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3741346
Phase Preclinical
Structure Type MOL
InChI Key XFTWQOSRWVEGGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
5.29
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.78
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31NO
MW 337.51
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
26596711 10.1016/j.bmc.2015.11.004 11-beta-hydroxysteroid dehydrogenase 1 2

Data from ChEMBL 36 via Core Engine