Compound Detail
CHEMBL94461
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Basic Information
| ChEMBL ID | CHEMBL94461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWFRVJYQGQVKBH-ICSRJNTNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.29
ALogP
4
HBA
2
HBD
42.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 10.05 | 10.05 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 0.09 | nM | 10.05 | Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance ... | 9871670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9871670 | 10.1016/s0960-894x(98)00012-2 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine