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Compound Detail

CHEMBL68370

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CC[S+]([O-])c1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL68370
Phase Preclinical
Structure Type MOL
InChI Key SDMZOGLOLYWQGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
3.85
ALogP
8
HBA
1
HBD
121.6
PSA (Ų)
0.27
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N6O3S
MW 486.56
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.75

Literature References

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

Data from ChEMBL 36 via Core Engine