Compound Detail
CHEMBL292277
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Cc1cc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)C(c2ccccc2)c2ccccc2)C3)ccc1N
Basic Information
| ChEMBL ID | CHEMBL292277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLVDUSUYBDMJKR-SANMLTNESA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
3.99
ALogP
5
HBA
2
HBD
101.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.4 | 7.06 | 40.0 | 2 |
| Angiotensin II receptor CHEMBL2094112 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| Type-2 angiotensin II receptor CHEMBL4607 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 40.0 | nM | 7.4 | Binding affinity towards Angiotensin II receptor, type 2 in rat isolated adrenal... | 8258820 |
| Angiotensin II receptor | IC50 | = | 66.0 | nM | 7.18 | Binding affinity against Angiotensin II receptor, from rat adrenal gland | 1956044 |
| Type-2 angiotensin II receptor | IC50 | = | 66.0 | nM | 7.18 | Inhibition of Angiotensin II receptor, type 2 | 8576904 |
| Type-2 angiotensin II receptor | IC50 | = | 190.0 | nM | 6.72 | Compound was evaluated for inhibition of Angiotensin II receptor, type 2 in rat ... | - |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 580.0 | nM | 6.24 | Binding affinity against Angiotensin II receptor, from rat brain | 1956044 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8258820 | 10.1021/jm00077a001 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 8258820 | 10.1021/jm00077a001 | Type-2 angiotensin II receptor | 1 |
| 1956044 | 10.1021/jm00115a014 | Angiotensin II receptor | 1 |
| 1956044 | 10.1021/jm00115a014 | Angiotensin II receptor (AT-1) type-1 | 1 |
| - | 10.1016/S0960-894X(01)81007-6 | Type-2 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Type-1 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Type-2 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine