Compound Detail
CHEMBL24861
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CCCCc1nc2ccc(N(C)C(=O)OCC(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL24861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCZOYWFJUMVFHA-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
565.7
MW (Da)
5.86
ALogP
8
HBA
1
HBD
118.9
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.8 | 8.6175 | 1.6 | 4 |
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 5.66 | 5.66 | 2200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 1.6 | nM | 8.8 | Displacement of [125I]Sar1-Ile8-AII (without BSA) from type 1 Angiotensin II rec... | - |
| Type-1 angiotensin II receptor | IC50 | = | 2.5 | nM | 8.6 | Binding affinity against AT-1 receptor from rabbit aorta using [125I]-Sar1-Ile8-... | 8230109 |
| Type-1 angiotensin II receptor | IC50 | = | 2.5 | nM | 8.6 | Inhibition of Angiotensin II receptor, type 1 | 8576904 |
| Type-1 angiotensin II receptor | IC50 | = | 3.4 | nM | 8.47 | Ability to displace [125I]Sar1-Ile8-AII from angiotensin II receptor, type 1 in ... | - |
| 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 |
| Type-2 angiotensin II receptor | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory activity at Angiotensin II type 2 receptor. | 8576904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80335-2 | Rattus norvegicus | 4 |
| - | 10.1016/S0960-894X(00)80335-2 | Type-1 angiotensin II receptor | 2 |
| - | 10.1016/S0960-894X(00)80335-2 | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80335-2 | Type-2 angiotensin II receptor | 1 |
| 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 |
| 8576904 | 10.1021/jm9504722 | Type-1 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine