Compound Detail
CHEMBL299917
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Basic Information
| ChEMBL ID | CHEMBL299917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LUBDXUGRYJBFRI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
3.80
ALogP
4
HBA
2
HBD
85.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 1 (5-HT1) receptor | IC50 | = | 2.1 | nM | 8.68 | Compound was evaluated for inhibition of 5-HT uptake by measuring its ability to... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80986-0 | Serotonin 1 (5-HT1) receptor | 1 |
| - | 10.1016/S0960-894X(01)80986-0 | Mus musculus | 1 |
| - | 10.1016/S0960-894X(01)80986-0 | Muscarinic acetylcholine receptor | 1 |
| - | 10.1016/S0960-894X(01)80986-0 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(01)80986-0 | Alpha-1 adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine