Compound Detail
CHEMBL299887
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Basic Information
| ChEMBL ID | CHEMBL299887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLRLIJPIWNCLSY-MHZLTWQESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.7
MW (Da)
5.73
ALogP
3
HBA
1
HBD
67.3
PSA (Ų)
0.41
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL257 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Substance-P receptor CHEMBL249 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Angiotensin II receptor, type 2 in rat midbrain using [125I]-Sar1,... | - |
| Substance-P receptor | IC50 | = | 280.0 | nM | 6.55 | Inhibition of [125I]-Substance P binding to human NK1 receptors in CHO cells | - |
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