Compound Detail
CHEMBL150701
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Basic Information
| ChEMBL ID | CHEMBL150701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSOYKCANSOSZRB-UHFFFAOYSA-N |
2
Targets
7
Activities
3
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
179.3
MW (Da)
1.34
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.7
EC50 2 meas. best 7.9
Kd 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL5076 | Kd | 8.4 | 8.4 | 4.0 | 1 |
| Histamine H3 receptor CHEMBL264 | EC50 | 7.9 | 7.89 | 12.6 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 7.7 | 7.7 | 19.9 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 3.981 | nM | 8.4 | Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptors in homoge... | 11356102 |
| Histamine H3 receptor | EC50 | = | 12.59 | nM | 7.9 | Inhibition of cAMP-stimulated beta-galactosidase transcription in SK-N-MC cells ... | 15771452 |
| Histamine H3 receptor | EC50 | = | 13.18 | nM | 7.88 | Inhibitory activity determined by the inhibition of cAMP- stimulated beta-galact... | 14640553 |
| Histamine H3 receptor | Ki | = | 19.95 | nM | 7.7 | Inhibitory activity measured by [3H]- N alpha- methyl-histamine binding to membr... | 14640553 |
| Histamine H3 receptor | Ki | = | 19.95 | nM | 7.7 | Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expres... | 15771452 |
| Histamine H3 receptor | Ki | = | 19.95 | nM | 7.7 | Displacement of [3H]-NR-methylhistamine from human histamine H3 receptor express... | 26390077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14640553 | 10.1021/jm030905y | Histamine H3 receptor | 4 |
| 14640553 | 10.1021/jm030905y | Histamine H4 receptor | 3 |
| 15771452 | 10.1021/jm049475h | Histamine H3 receptor | 3 |
| 26390077 | 10.1021/acs.jmedchem.5b00982 | Histamine H3 receptor | 2 |
| 11356102 | 10.1021/jm001109k | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine