Compound Detail
CHEMBL42984
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CCCCCc1nc2c(n1Cc1ccc(-n3cccc3-c3nn[nH]n3)cc1)/C(=C/C(=O)O)CCCC2
Basic Information
| ChEMBL ID | CHEMBL42984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHUCLXPTYRCYLQ-LVZFUZTISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
4.83
ALogP
7
HBA
2
HBD
114.5
PSA (Ų)
0.20
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.02 | 8.02 | 9.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 9.55 | nM | 8.02 | Evaluated in vitro for antagonism of AII induced contraction of isolated rabbit ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80581-3 | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine