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Compound Detail

CHEMBL5411038

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CCCCCC[C@@]1(O)C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2C[C@H](O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5411038
Phase Preclinical
Structure Type MOL
InChI Key AACLSPCZHVAHCX-LOWVDXKZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

492.7
MW (Da)
5.79
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H52O5
MW 492.74
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 2.35

Literature References

PubMed DOI Target Context # Activities
37813065 10.1016/j.ejmech.2023.115851 G-protein coupled bile acid receptor 1 1
37813065 10.1016/j.ejmech.2023.115851 Bile acid receptor 1

Data from ChEMBL 36 via Core Engine