Compound Detail
CHEMBL2079629
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2079629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEGYEDYHPHMHGK-MRVPVSSYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
1.58
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin (5-HT) receptor CHEMBL2094123 | Kd | 5.38 | 5.3067 | 4168.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin (5-HT) receptor | Kd | = | 4168.69 | nM | 5.38 | Affinity against 5-hydroxytryptamine receptors in rat fundus model | 7365744 |
| Serotonin (5-HT) receptor | Kd | = | 4168.69 | nM | 5.38 | Binding affinity at rat 5-hydroxytryptamine receptor. | 7143352 |
| Serotonin (5-HT) receptor | Kd | = | 6918.31 | nM | 5.16 | Affinity against 5-hydroxytryptamine receptors in rat fundus model | 7365744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7086839 | 10.1021/jm00347a010 | Rattus norvegicus | 9 |
| 7143352 | 10.1021/jm00352a013 | Rattus norvegicus | 6 |
| 7365744 | 10.1021/jm00177a017 | Serotonin (5-HT) receptor | 2 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | Rattus norvegicus | 2 |
| 7143352 | 10.1021/jm00352a013 | Serotonin (5-HT) receptor | 1 |
Data from ChEMBL 36 via Core Engine