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Compound Detail

CHEMBL3321848

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CN(C(=O)C1(C(=O)N2CCCc3ccccc32)CC1)c1cc(Cl)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3321848
Phase Preclinical
Structure Type MOL
InChI Key CMZPQXQHRWHNBS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.3
MW (Da)
4.72
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20Cl2N2O2
MW 403.31
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
25082126 10.1016/j.bmcl.2014.07.026 G-protein coupled bile acid receptor 1 1

Data from ChEMBL 36 via Core Engine