Compound Detail
CHEMBL444552
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Basic Information
| ChEMBL ID | CHEMBL444552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRMHOUYEUUCREL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
356.3
MW (Da)
3.54
ALogP
3
HBA
1
HBD
62.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 5.37 | 5.37 | 4275.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 4275.0 | nM | 5.37 | Binding affinity at human Tachykinin receptor 1 expressed in CHO cells by [125 I... | 7699709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7699709 | 10.1021/jm00006a011 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine