Compound Detail
CHEMBL2114439
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Basic Information
| ChEMBL ID | CHEMBL2114439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMCACXWESDLLOQ-APKLWFBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
4.01
ALogP
3
HBA
2
HBD
33.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | Ki | 9.2 | 9.2 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Ki | = | 0.631 | nM | 9.2 | Compound was evaluated for binding affinity towards neurokinin NK1 receptor. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00552-5 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine