Compound Detail
CHEMBL28055
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NC(=O)CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL28055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWKJCJFYJWIFLL-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
510.5
MW (Da)
5.52
ALogP
3
HBA
2
HBD
64.3
PSA (Ų)
0.35
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Substance-P receptor CHEMBL249 | IC50 | 9.28 | 9.175 | 0.5 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Substance-P receptor | IC50 | = | 0.53 | nM | 9.28 | Inhibition of substance P binding to Tachykinin receptor 1 in Chinese hamster ov... | 15481976 |
| Substance-P receptor | IC50 | = | 0.53 | nM | 9.28 | Inhibition of substance P binding to Tachykinin receptor 1 in Chinese hamster ov... | 15481976 |
| Substance-P receptor | IC50 | = | 0.85 | nM | 9.07 | Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- ... | - |
| Substance-P receptor | IC50 | = | 0.85 | nM | 9.07 | Binding affinity towards human Tachykinin receptor 1 expressed in CHO cells by t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15481976 | 10.1021/jm0311487 | Substance-P receptor | 2 |
| - | 10.1016/0960-894X(95)00220-N | Substance-P receptor | 1 |
| - | 10.1016/S0960-894X(01)80531-X | Substance-P receptor | 1 |
Data from ChEMBL 36 via Core Engine