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Compound Detail

CHEMBL5282568

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O=C(O)c1ccc(NS(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](OCc2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282568
Phase Preclinical
Structure Type MOL
InChI Key ZQMKHXSMAPZBTD-PIIMJCKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

610.5
MW (Da)
6.23
ALogP
6
HBA
2
HBD
122.0
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26Cl2FN3O6S
MW 610.49
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.79

Literature References

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

Data from ChEMBL 36 via Core Engine