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Compound Detail

CHEMBL127108

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CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccoc2C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL127108
Phase Preclinical
Structure Type MOL
InChI Key BKPHYWLYBANUAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.9
MW (Da)
4.38
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN2O4
MW 388.85
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
7966154 10.1021/jm00049a012 Angiotensin II receptor 2

Data from ChEMBL 36 via Core Engine