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Compound Detail

CHEMBL5277834

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COc1cc(-c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)no2)ccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5277834
Phase Preclinical
Structure Type MOL
InChI Key OWMGECLVEMJRBP-BWTSREIZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

611.5
MW (Da)
7.00
ALogP
9
HBA
1
HBD
124.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28Cl2N4O6
MW 611.48
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
34889100 10.1021/acs.jmedchem.1c01017 Bile acid receptor 1

Data from ChEMBL 36 via Core Engine