Compound Detail
CHEMBL25492
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Basic Information
| ChEMBL ID | CHEMBL25492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTJHFHDXRREQSB-HKUYNNGSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
404.4
MW (Da)
4.46
ALogP
5
HBA
2
HBD
58.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | Ki | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | Ki | = | 0.7943 | nM | 9.1 | In vitro binding affinity against human NK1 receptor expressed in CHO cells usin... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00207-A | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine