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Compound Detail

CHEMBL4457718

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CC(=O)O[C@@H]1C[C@@](C)(O)CC[C@]12[C@@H](C(=O)O)CC[C@H]2C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4457718
Phase Preclinical
Structure Type MOL
InChI Key LKPOSWRMEMZMEF-ZQQZQOJVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
2.61
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H28O5
MW 312.41
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 2.45

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
31294974 10.1021/acs.jmedchem.9b00187 11-beta-hydroxysteroid dehydrogenase 1 2
31294974 10.1021/acs.jmedchem.9b00187 3T3-L1 1
31294974 10.1021/acs.jmedchem.9b00187 11-beta-hydroxysteroid dehydrogenase type 2 1

Data from ChEMBL 36 via Core Engine