Compound Detail
CHEMBL340315
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CCCCCc1nc(SCc2ccc(-c3ccccc3C(=O)O)cc2)nn1Cc1ccc(-c2ccccc2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL340315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTBJILXZVCXMEG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
591.7
MW (Da)
8.08
ALogP
6
HBA
2
HBD
105.3
PSA (Ų)
0.11
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 8.4 | 8.4 | 4.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 3.981 | nM | 8.4 | Inhibition of angiotensin II induced contractions in rabbit aortic ring preparat... | - |
| Type-1 angiotensin II receptor | Kd | = | 3.981 | nM | 8.4 | Antagonist activity at angiotensin AT1 receptor in rabbit aorta assessed as redu... | 21071232 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80915-X | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80915-X | Rattus norvegicus | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine