Compound Detail
CHEMBL288246
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CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL288246 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQVJTTOZTTVVBK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
3.52
ALogP
8
HBA
1
HBD
114.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 9.7 | 9.7 | 0.2 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 0.2 | nM | 9.7 | Inhibition of Angiotensin II induced contractions in rabbit aortic rings | 8201597 |
| Type-1 angiotensin II receptor | IC50 | = | 0.2 | nM | 9.7 | Antagonist activity at angiotensin AT1 receptor in rabbit aorta | 21071232 |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 0.7 | nM | 9.15 | Binding affinity against AT1 receptor of rat adrenal cortical membranes | 8201597 |
| Unchecked | IC50 | = | 0.7 | nM | 9.15 | Binding affinity to angiotensin AT1 receptor in rat cortical membranes | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 8201597 | 10.1021/jm00037a014 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8201597 | 10.1021/jm00037a014 | Angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Unchecked | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.6019/CHEMBL5441142 | Schistosoma mansoni | 1 |
Data from ChEMBL 36 via Core Engine