Compound Detail
CHEMBL341032
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CCCCCN1C(=O)N(CCCC)C(=O)/C1=C/c1cnc(CCCC)n1Cc1ccc(C(=O)OC)cc1
Basic Information
| ChEMBL ID | CHEMBL341032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXMUFCWXQFYTCY-PLRJNAJWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.7
MW (Da)
5.66
ALogP
6
HBA
0
HBD
84.7
PSA (Ų)
0.14
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.21 | 8.21 | 6.1 | 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 | = | 6.1 | nM | 8.21 | Binding affinity expressed as IC50 to the Angiotensin II receptor, type 1, from ... | 7562906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562906 | 10.1021/jm00019a005 | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine