Compound Detail
CHEMBL24688
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CCCCc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL24688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMPDCHYBXAHIJA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
4.65
ALogP
8
HBA
1
HBD
107.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 7.89 | 7.89 | 13.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 13.0 | nM | 7.89 | Ability to displace [125I]Sar1-Ile8-AII from angiotensin II receptor, type 1 in ... | - |
| Type-1 angiotensin II receptor | IC50 | = | 13.0 | nM | 7.89 | Binding affinity against Angiotensin II type 1 Receptor in rabbit aortic tissue | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80335-2 | Rattus norvegicus | 3 |
| - | 10.1016/S0960-894X(00)80335-2 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80335-2 | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80335-2 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(00)80334-0 | Type-1 angiotensin II receptor | 1 |
| 29656203 | 10.1016/j.ejmech.2018.03.076 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine