Compound Detail
CHEMBL112876
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Basic Information
| ChEMBL ID | CHEMBL112876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMACVUOAVLWPKO-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
2.84
ALogP
4
HBA
1
HBD
69.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 8.19 | 8.19 | 6.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 6.457 | nM | 8.19 | Binding affinity for human cloned 5-hydroxytryptamine 7 receptor in HEK 293 usin... | 12392747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12392747 | 10.1016/s0960-894x(02)00690-x | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine