Compound Detail
CHEMBL2021416
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CCCCc1nc(Cl)c(C(=O)OCC)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1.[K+]
Basic Information
| ChEMBL ID | CHEMBL2021416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAGYHJYDLBVEMP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1204970 |
| Active Moiety | CHEMBL1204970 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
504.0
MW (Da)
5.23
ALogP
8
HBA
1
HBD
103.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | Ki | = | 25.0 | nM | 7.6 | Binding affinity for Angiotensin II receptor, type 1 determined using [125I]- la... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81137-9 | Rattus norvegicus | 3 |
| - | 10.1016/S0960-894X(01)81137-9 | Type-1 angiotensin II receptor B | 1 |
| - | 10.1016/S0960-894X(01)81137-9 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine