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Compound Detail

CHEMBL3138052

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C[C@H](C(=O)O)C1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138052
Phase Preclinical
Structure Type MOL
InChI Key WQUYUZJNAIWNRJ-LJZLLFRNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.5
MW (Da)
3.70
ALogP
3
HBA
3
HBD
77.8
PSA (Ų)
0.70
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 C22H36O4
MW 364.53
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 2.45

Literature References

PubMed DOI Target Context # Activities
15317466 10.1021/jm049904b Bile acid receptor 2

Data from ChEMBL 36 via Core Engine