Compound Detail
CHEMBL3754010
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CCCCNC(=O)c1cc(C)c2nc(CCC)n(Cc3ccc(-c4ccccc4C(=O)Nc4nnn[nH]4)cc3)c2c1
Basic Information
| ChEMBL ID | CHEMBL3754010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUWHKRGAGCVALG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
550.7
MW (Da)
5.31
ALogP
7
HBA
3
HBD
130.5
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 6.36 | 6.36 | 439.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 439.0 | nM | 6.36 | Displacement of 125I-labelled Sar1-Ile8-angiotensin-2 from human AT1 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C5MD00169B | Endothelin-1 receptor | 1 |
| - | 10.1039/C5MD00169B | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine