Compound Detail
CHEMBL110265
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CCCc1nc2ccc(NC(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL110265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHNCSULBJRZIGK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
537.6
MW (Da)
5.45
ALogP
8
HBA
2
HBD
127.7
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 3.9 | nM | 8.41 | Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-... | 8230109 |
| Type-2 angiotensin II receptor | IC50 | = | 2200.0 | nM | 5.66 | Binding affinity against Angiotensin II receptor type 2 from rat mid brain using... | 8230109 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8230109 | 10.1021/jm00073a024 | Type-1 angiotensin II receptor | 1 |
| 8230109 | 10.1021/jm00073a024 | Type-2 angiotensin II receptor | 1 |
| 8230109 | 10.1021/jm00073a024 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine