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Compound Detail

CHEMBL5422960

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C[C@H](C[C@@H](Cc1ccccc1)C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5422960
Phase Preclinical
Structure Type MOL
InChI Key PQTKJYVVNLOQQG-RWXNYWIFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

498.7
MW (Da)
4.92
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H46O5
MW 498.70
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 2.16

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