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

CHEMBL576518

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
C=C(C)[C@@H]1CC[C@]2(C(=O)OCN3C(=O)c4ccccc4C3=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL576518
Phase Preclinical
Structure Type MOL
InChI Key KFRNRFJPRHEQHY-AAFVLQQKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

615.9
MW (Da)
7.80
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H53NO5
MW 615.86
Aromatic Rings 1
Heavy Atoms 45
NP-Likeness 2.02

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19911773 10.1021/jm900872z G-protein coupled bile acid receptor 1 2
19911773 10.1021/jm900872z Bile acid receptor 1

Data from ChEMBL 36 via Core Engine