Compound Detail
CHEMBL4524049
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CCCCc1nc(C(F)(F)F)c(C(=O)[O-])n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[n-]n1.[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL4524049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UQPUWNAFGBQQBH-UHFFFAOYSA-L |
| Parent Compound | CHEMBL1204952 |
| Active Moiety | CHEMBL1204952 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
509.5
MW (Da)
5.12
ALogP
7
HBA
2
HBD
114.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B CHEMBL263 | Ki | 7.1 | 7.1 | 79.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor B | Ki | = | 79.0 | nM | 7.1 | 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 | 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