Compound Detail
CHEMBL2079786
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Cc1cc(=O)n(CC(=O)N(C)C)nc1-c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2c1.[K+]
Basic Information
| ChEMBL ID | CHEMBL2079786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXHYMUSEUKAYLZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL286552 |
| Active Moiety | CHEMBL286552 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
585.7
MW (Da)
4.43
ALogP
9
HBA
1
HBD
127.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 3.6 | nM | 8.44 | Concentration required for 50% inhibition of binding against Angiotensin II rece... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80348-6 | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine