Compound Detail
CHEMBL25989
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CCCCc1nc2ccc(C3=NNC(=O)CC3C)cc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL25989 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIOODGFNLCGWIH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
5.13
ALogP
7
HBA
2
HBD
113.7
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Type-1 angiotensin II receptor CHEMBL3374 | IC50 | 7.66 | 7.66 | 22.0 | 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 | = | 6.3 | nM | 8.2 | Concentration required for 50% inhibition of binding against Angiotensin II rece... | - |
| Type-1 angiotensin II receptor | IC50 | = | 22.0 | nM | 7.66 | Concentration required for 50% inhibition of binding against Angiotensin II rece... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80348-6 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80348-6 | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine