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

CHEMBL5408117

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
O=C(O)Cc1cccc(N2CCC(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5408117
Phase Preclinical
Structure Type MOL
InChI Key AKHMFNURPYMCDH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

501.4
MW (Da)
6.34
ALogP
5
HBA
1
HBD
75.8
PSA (Ų)
0.39
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26Cl2N2O4
MW 501.41
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
37079895 10.1021/acs.jmedchem.2c01918 Bile acid receptor 3
37079895 10.1021/acs.jmedchem.2c01918 Fatty acid-binding protein, liver 2

Data from ChEMBL 36 via Core Engine