Compound Detail
CHEMBL60716
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Basic Information
| ChEMBL ID | CHEMBL60716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTBYLNCJHFPRTL-RQJHMYQMSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
0.86
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.89
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 8.88 | 8.88 | 1.3 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 1.3 | nM | 8.89 | Binding affinity to histamine H3 receptor | 20045649 |
| Histamine H3 receptor | Ki | = | 1.31 | nM | 8.88 | Affinity against rat Histamine H3 receptor using [3H]N-alpha-methyl histamine | 12723960 |
| Histamine H3 receptor | EC50 | = | 10.0 | nM | 8.0 | Inhibition of human Histamine H3 receptor using [3H]N-alpha-methyl histamine | 12723960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723960 | 10.1021/jm020415q | Histamine H3 receptor | 2 |
| 12723960 | 10.1021/jm020415q | Histamine H1 receptor | 1 |
| 12723960 | 10.1021/jm020415q | Histamine H2 receptor | 1 |
| 12723960 | 10.1021/jm020415q | Histamine H4 receptor | 1 |
| 15163206 | 10.1021/jm031141p | Cavia porcellus | 1 |
| 15163206 | 10.1021/jm031141p | Histamine H3 receptor | 1 |
| 20045649 | 10.1016/j.bmc.2009.12.046 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine