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Compound Detail

CHEMBL5268282

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O=C(O)c1cccc(-c2nc(N3[C@@H]4CC[C@H]3C[C@@H](OCc3c(-c5c(Cl)cccc5Cl)noc3C3CC3)C4)no2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5268282
Phase Preclinical
Structure Type MOL
InChI Key LYBOBWNJVSJLOQ-PMOLBWCYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

581.5
MW (Da)
6.99
ALogP
8
HBA
1
HBD
114.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H26Cl2N4O5
MW 581.46
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.51

Literature References

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

Data from ChEMBL 36 via Core Engine