Compound Detail
CHEMBL310061
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CN1C[C@@H](CN(C#N)Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccc(-n3ccnc3)cc12
Basic Information
| ChEMBL ID | CHEMBL310061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMNOKNRMZFBNMY-XUZZJYLKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.6
MW (Da)
4.20
ALogP
5
HBA
1
HBD
63.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 3.3 | nM | 8.48 | Ability to displace [3H]- -5-HT binding to cloned 5-hydroxytryptamine 1D recepto... | 10498195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498195 | 10.1016/s0960-894x(99)00409-6 | 5-hydroxytryptamine receptor 1D | 1 |
| 10498195 | 10.1016/s0960-894x(99)00409-6 | Serotonin 1 receptors; 5-HT1B & 5-HT1D | 1 |
Data from ChEMBL 36 via Core Engine