Compound Detail
CHEMBL12518
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CCCCc1nc(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)n(CCCC)n1
Basic Information
| ChEMBL ID | CHEMBL12518 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGRLDGCNUAVKDF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
657.9
MW (Da)
9.17
ALogP
7
HBA
0
HBD
74.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094112 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | IC50 | = | 140.0 | nM | 6.85 | Inhibition of [125I]- AII binding to rat uterine membrane angiotensin II recepto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81130-6 | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81130-6 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine