Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5395727

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CO[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC(=O)[C@]3(C)[C@@H]([C@H](C)CCC(=O)Oc4ccc5ccccc5c4)CC[C@H]3[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5395727
Phase Preclinical
Structure Type MOL
InChI Key AKKBHWRDRAYMGY-DTFGZSHQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

546.8
MW (Da)
6.99
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H46O5
MW 546.75
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness 1.71

Literature References

PubMed DOI Target Context # Activities
37536263 10.1016/j.bmc.2023.117418 G-protein coupled bile acid receptor 1 2

Data from ChEMBL 36 via Core Engine