Compound Detail
CHEMBL89161
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CCCCc1nc2ccn(CC(=O)N(C)C)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1.[K+]
Basic Information
| ChEMBL ID | CHEMBL89161 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHEMZZACMAKIAF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL288246 |
| Active Moiety | CHEMBL288246 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
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 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | 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 (AT-1) type-1 | IC50 | = | 0.7 | nM | 9.15 | In vitro binding affinity determined against angiotensin II AT1 receptor in rat ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00477-B | Angiotensin II receptor (AT-1) type-1 | 1 |
| - | 10.1016/0960-894X(95)00477-B | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/0960-894X(95)00477-B | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine