Compound Detail
CHEMBL49950
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Basic Information
| ChEMBL ID | CHEMBL49950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABCBKLYRLDCXBW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
1.45
ALogP
7
HBA
1
HBD
89.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 5.84 | 5.84 | 1460.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1433 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 1460.0 | nM | 5.84 | In vitro binding affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH... | 15026055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026055 | 10.1016/j.bmcl.2004.01.045 | 5-hydroxytryptamine receptor 1A | 1 |
| 15026055 | 10.1016/j.bmcl.2004.01.045 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine