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Compound Detail

CHEMBL69221

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COC(=O)c1cccc2nc(OCC(F)(F)F)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL69221
Phase Preclinical
Structure Type MOL
InChI Key BSQODZCCWHMNPZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

508.5
MW (Da)
4.66
ALogP
8
HBA
1
HBD
107.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19F3N6O3
MW 508.46
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
8340921 10.1021/jm00067a016 Angiotensin II receptor 2
8340921 10.1021/jm00067a016 Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine