Compound Detail
CHEMBL3235729
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Basic Information
| ChEMBL ID | CHEMBL3235729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIHSWMGQYBJKOV-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.6
MW (Da)
2.82
ALogP
5
HBA
1
HBD
69.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.5 | 6.5 | 313.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.25 | 6.25 | 567.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 313.0 | nM | 6.5 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 ce... | 24675176 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 567.0 | nM | 6.25 | Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells af... | 24675176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24675176 | 10.1016/j.ejmech.2014.03.005 | Unchecked | 2 |
| 24675176 | 10.1016/j.ejmech.2014.03.005 | 5-hydroxytryptamine receptor 1A | 1 |
| 24675176 | 10.1016/j.ejmech.2014.03.005 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine