Compound Detail
CHEMBL305135
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Basic Information
| ChEMBL ID | CHEMBL305135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMFNLINKCDGRTE-WDSKDSINSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
137.2
MW (Da)
0.47
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.02
Ki 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 2.5 | nM | 8.6 | Affinity against rat Histamine H3 receptor using [3H]N-alpha-methyl histamine | 12723960 |
| Histamine H3 receptor | EC50 | = | 96.0 | nM | 7.02 | 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 |
Data from ChEMBL 36 via Core Engine