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Compound Detail

CHEMBL68622

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CCCCOc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL68622
Phase Preclinical
Structure Type MOL
InChI Key GXZTXPIOKLBOOS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.5
MW (Da)
4.90
ALogP
8
HBA
1
HBD
107.8
PSA (Ų)
0.24
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N6O3
MW 482.54
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.86

Literature References

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

Data from ChEMBL 36 via Core Engine