Compound Detail
CHEMBL64983
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Basic Information
| ChEMBL ID | CHEMBL64983 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJHNYMJZVBIXJG-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.1
MW (Da)
4.89
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Kd 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | Kd | 8.7 | 8.7 | 2.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | Kd | = | 1.995 | nM | 8.7 | pA2 in the isolated rat pulmonary artery | - |
| Type-1 angiotensin II receptor | IC50 | = | 8.0 | nM | 8.1 | Binding affinity evaluated by its ability to displace the specific binding ligan... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81148-3 | No relevant target | 2 |
| - | 10.1016/S0960-894X(01)81148-3 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81148-3 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine