Compound Detail
CHEMBL122096
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CCCCCc1nc(SCc2ccc(-c3ccccc3-n3cnnn3)cc2)nn1Cc1ccc(-c2ccccc2-n2cnnn2)cc1
Basic Information
| ChEMBL ID | CHEMBL122096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVAKVUFGPJLLLF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
639.8
MW (Da)
6.64
ALogP
12
HBA
0
HBD
117.9
PSA (Ų)
0.10
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 10000.0 | nM | 5.0 | Inhibition of angiotensin II induced contractions in rabbit aortic ring preparat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80915-X | Angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine