Compound Detail
CHEMBL95387
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CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccc(Cl)c1Cl)[C@@H](O)C(C)(C)O2
Basic Information
| ChEMBL ID | CHEMBL95387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSNXWBWNKQWFON-ZWKOTPCHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.3
MW (Da)
4.20
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL5450 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 10.0 | nM | 8.0 | Binding affinity to 5-hydroxytryptamine 1D receptor in the rat forebrain by [3H]... | 10021946 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10021946 | 10.1016/s0960-894x(98)00728-8 | Rattus norvegicus | 5 |
| 10021946 | 10.1016/s0960-894x(98)00728-8 | 5-hydroxytryptamine receptor 1D | 4 |
Data from ChEMBL 36 via Core Engine