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Compound Detail

CHEMBL5416928

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O=C(O)C1(c2ccc(-c3cccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C4CC4)c3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5416928
Phase Preclinical
Structure Type MOL
InChI Key XTALAOYFSXDVRA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

520.4
MW (Da)
7.89
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H23Cl2NO4
MW 520.41
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.53

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 1

Data from ChEMBL 36 via Core Engine