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Compound Detail

CHEMBL4171112

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O=C(NC12C3CCC4C3C3C(CCC31)C42)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4171112
Phase Preclinical
Structure Type MOL
InChI Key GPRDCQQIWNSEFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
3.36
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27NO
MW 285.43
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 0.38

Literature References

PubMed DOI Target Context # Activities
28818766 10.1016/j.ejmech.2017.08.003 11-beta-hydroxysteroid dehydrogenase 1 2

Data from ChEMBL 36 via Core Engine