Compound Detail
CHEMBL335504
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Basic Information
| ChEMBL ID | CHEMBL335504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTCWHENRPOMLOB-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
486.6
MW (Da)
3.16
ALogP
7
HBA
0
HBD
83.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.14
Kd 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 8.6 | 8.6 | 2.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 2.512 | nM | 8.6 | Ability to antagonize the 8-OH-DPAT-induced contractions of a strip of guinea pi... | 10669570 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 7.25 | nM | 8.14 | In vitro affinity against 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT i... | 10669570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10669570 | 10.1021/jm991088y | Rattus norvegicus | 4 |
| 10669570 | 10.1021/jm991088y | 5-hydroxytryptamine receptor 1A | 1 |
| 10669570 | 10.1021/jm991088y | Unchecked | 1 |
| 10669570 | 10.1021/jm991088y | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine