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Compound Detail

CHEMBL2111841

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CCCCc1ncc(/C=C(/Cc2ccco2)C(=O)O)n1Cc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2111841
Phase Preclinical
Structure Type MOL
InChI Key ZRLLCAWDFVMQHH-ATVHPVEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
5.23
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN2O3
MW 398.89
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
1433195 10.1021/jm00099a013 Angiotensin II receptor 2

Data from ChEMBL 36 via Core Engine