Compound Detail
CHEMBL1259017
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Basic Information
| ChEMBL ID | CHEMBL1259017 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMTJQAZKTVECPQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
2.77
ALogP
5
HBA
1
HBD
62.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.51
Ki 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.03 | 7.03 | 93.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | EC50 | 6.51 | 6.51 | 310.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 93.0 | nM | 7.03 | Displacement of [3H]WAY-100635 from 5-HT1A receptor in pig cortex membranes | 20860381 |
| 5-hydroxytryptamine receptor 1A | EC50 | = | 310.0 | nM | 6.51 | Intrinsic activity at human 5-HT1A receptor expressed in CHO cells assessed as i... | 20860381 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20860381 | 10.1021/jm100835q | 5-hydroxytryptamine receptor 1A | 2 |
| 20860381 | 10.1021/jm100835q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine