Compound Detail
CHEMBL15118
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CCCCc1nc2ccc(C(CC)OC)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
Basic Information
| ChEMBL ID | CHEMBL15118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGPXDQDRMMOLQQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
508.6
MW (Da)
5.73
ALogP
7
HBA
1
HBD
98.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensinogen CHEMBL5291508 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Angiotensin II receptor CHEMBL2094112 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensinogen | IC50 | = | 18.0 | nM | 7.75 | Inhibition of rat adrenal cortex angiotensin II | 29656203 |
| Angiotensin II receptor | IC50 | = | 5000.0 | nM | 5.3 | Concentration required for 50% inhibition of binding against Angiotensin II rece... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80243-2 | Angiotensin II receptor | 1 |
| 29656203 | 10.1016/j.ejmech.2018.03.076 | Angiotensinogen | 1 |
| 29656203 | 10.1016/j.ejmech.2018.03.076 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine