Compound Detail
CHEMBL5278845
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CCCc1nc2ccc(N(Cc3ccccc3)C(=O)OC(C)(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL5278845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFJYSQWPRUSJET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
627.8
MW (Da)
7.19
ALogP
8
HBA
1
HBD
118.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensinogen CHEMBL5291508 | IC50 | 9.34 | 9.34 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensinogen | IC50 | = | 0.46 | nM | 9.34 | Binding affinity to AT2 in rat brain | 29656203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29656203 | 10.1016/j.ejmech.2018.03.076 | Angiotensinogen | 1 |
Data from ChEMBL 36 via Core Engine