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Compound Detail

CHEMBL64670

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CCCc1c(C)c(=O)n(C)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1

Basic Information

ChEMBL ID CHEMBL64670
Phase Preclinical
Structure Type MOL
InChI Key GKAOVUZSXLQJGS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
2.70
ALogP
7
HBA
1
HBD
98.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N6O2
MW 416.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Type-1 angiotensin II receptor
CHEMBL3374
IC50 5.18 5.18 6600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Type-1 angiotensin II receptor IC50 = 6600.0 nM 5.18 Tested for binding affinity against angiotensin II receptor in bovine adrenal co... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00370-9 Type-1 angiotensin II receptor 1

Data from ChEMBL 36 via Core Engine