Compound Detail
CHEMBL59854
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Basic Information
| ChEMBL ID | CHEMBL59854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWIVKHBGLMJTDY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
464.6
MW (Da)
6.36
ALogP
2
HBA
0
HBD
47.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Substance-P receptor CHEMBL249 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 70.0 | nM | 7.16 | Inhibition of Angiotensin II receptor, type 2 in rat midbrain using [125I]-Sar1,... | - |
| Substance-P receptor | IC50 | = | 500.0 | nM | 6.3 | Inhibition of [125I]-Substance P binding to human NK1 receptors in CHO cells | - |
| Type-1 angiotensin II receptor | IC50 | = | 12500.0 | nM | 4.9 | Inhibition of angiotensin Angiotensin II receptor, type 1 in rabbit aorta using ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81007-6 | Type-1 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81007-6 | Type-2 angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)80747-2 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine