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Compound Detail

CHEMBL125790

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CCCCc1nc(CO)c(Cl)n1Cc1ccc(-c2ncccc2C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125790
Phase Preclinical
Structure Type MOL
InChI Key DRDVGEXCFANSJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.9
MW (Da)
4.18
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.59
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 C21H22ClN3O3
MW 399.88
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.89

Literature References

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

Data from ChEMBL 36 via Core Engine