Compound Detail
CHEMBL64880
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Basic Information
| ChEMBL ID | CHEMBL64880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBJFQCBYCFIBOI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.11
ALogP
4
HBA
1
HBD
33.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.7
EC50 1 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 8.7 | 8.7 | 2.0 | 2 |
| Son of sevenless homolog 1 CHEMBL2079846 | EC50 | 5.07 | 5.07 | 8600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 1.995 | nM | 8.7 | In vitro by displacement of [3H]LY-278584 from 5-hydroxytryptamine 3 receptor on... | 9046349 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 1.995 | nM | 8.7 | Rat 5-hydroxytryptamine 3 receptor (5-HT3) antagonist | 9622544 |
| Son of sevenless homolog 1 | EC50 | = | 8600.0 | nM | 5.07 | Activation of human recombinant N-terminal His6-tagged SOS1 (564 to 1049 residue... | 30205005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30205005 | 10.1021/acs.jmedchem.8b01108 | Son of sevenless homolog 1 | 2 |
| 9046349 | 10.1021/jm960442e | Serotonin 3 (5-HT3) receptor | 1 |
| 9046349 | 10.1021/jm960442e | Rattus norvegicus | 1 |
| 9046349 | 10.1021/jm960442e | 5-hydroxytryptamine receptor 1A | 1 |
| 9046349 | 10.1021/jm960442e | 5-hydroxytryptamine receptor 2A | 1 |
| 9046349 | 10.1021/jm960442e | 5-hydroxytryptamine receptor 4 | 1 |
| 9046349 | 10.1021/jm960442e | D(2) dopamine receptor | 1 |
| 9622544 | 10.1021/jm970745o | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine