Compound Detail
CHEMBL262301
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Cc1cc(C)cc(/C(F)=C2\CC[C@@H](NC(=O)c3ccnc4ccccc34)C[C@@H]2Cc2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL262301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSCXFZWPQPJUAS-MBBNEBRQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
7.37
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 270.0 | nM | 6.57 | Tested for the binding affinity against neurokinin NK1 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00624-5 | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine