Compound Detail
CHEMBL65153
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FC(F)(F)c1cc(CO[C@H]2CCCN(Cc3ccccc3)[C@H]2c2ccccc2)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL65153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFKWNUOGNLIQPF-DQEYMECFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
7.65
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.33
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| Substance-P receptor CHEMBL249 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.1 | nM | 8.39 | Inhibition of [3H]diltiazem binding to L-type calcium channel of rabbit skeletal... | - |
| Substance-P receptor | IC50 | = | 110.0 | nM | 6.96 | Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00009-I | Substance-P receptor | 1 |
| - | 10.1016/0960-894X(95)00009-I | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine