Compound Detail
CHEMBL34866
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CCc1nn(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)/c(=N/C(=O)C2=C(C(=O)[O-])CCC2)s1.[K+]
Basic Information
| ChEMBL ID | CHEMBL34866 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYBVDYGNSNOZHQ-OQKDUQJOSA-M |
| Parent Compound | CHEMBL284918 |
| Active Moiety | CHEMBL284918 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
3.39
ALogP
8
HBA
2
HBD
139.0
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
| Type-1 angiotensin II receptor B CHEMBL263 | IC50 | 9.36 | 9.36 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 0.4 | nM | 9.4 | Antagonist activity at angiotensin AT1 receptor | 21071232 |
| Type-1 angiotensin II receptor B | IC50 | = | 0.44 | nM | 9.36 | In vitro ability to displace the specific binding of [125I]-A II from receptors ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00250-8 | Rattus norvegicus | 8 |
| - | 10.1016/S0960-894X(96)00250-8 | Type-1 angiotensin II receptor B | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine