Compound Detail
CHEMBL519019
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Basic Information
| ChEMBL ID | CHEMBL519019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBKIOLUGZFJQBF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
419.5
MW (Da)
3.41
ALogP
6
HBA
1
HBD
72.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 158.49 | nM | 6.8 | Displacement of [3H]5HT from human cloned 5HT1A receptor expressed in CHO cells | 18829312 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 251.19 | nM | 6.6 | Displacement of [3H]5HT from human cloned 5HT1D receptor expressed in CHO cells | 18829312 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 398.11 | nM | 6.4 | Displacement of [3H]5HT from human cloned 5HT1B receptor expressed in CHO cells | 18829312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18829312 | 10.1016/j.bmcl.2008.08.110 | 5-hydroxytryptamine receptor 1A | 1 |
| 18829312 | 10.1016/j.bmcl.2008.08.110 | 5-hydroxytryptamine receptor 1B | 1 |
| 18829312 | 10.1016/j.bmcl.2008.08.110 | 5-hydroxytryptamine receptor 1D | 1 |
| 18829312 | 10.1016/j.bmcl.2008.08.110 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine