Compound Detail
CHEMBL4175147
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CCCCC1=N/C(=C\c2ccccc2Br)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL4175147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQPANHWTSULFKY-SLSZCLEPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
783.8
MW (Da)
10.58
ALogP
6
HBA
0
HBD
76.3
PSA (Ų)
0.09
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | Ki | 6.5 | 6.5 | 317.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | Ki | = | 317.0 | nM | 6.5 | Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 r... | 29329002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29329002 | 10.1016/j.ejmech.2017.12.021 | A549 | 3 |
| 29329002 | 10.1016/j.ejmech.2017.12.021 | NIH3T3 | 3 |
| 29329002 | 10.1016/j.ejmech.2017.12.021 | NCI-H358 | 2 |
| 29329002 | 10.1016/j.ejmech.2017.12.021 | Type-1 angiotensin II receptor | 2 |
Data from ChEMBL 36 via Core Engine