Compound Detail
CHEMBL1783893
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Basic Information
| ChEMBL ID | CHEMBL1783893 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGMKONUWLRPGDN-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
11
PK Parameters
7
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
2.23
ALogP
4
HBA
0
HBD
39.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.09
Ki 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Kd | 9.09 | 9.09 | 0.8 | 1 |
| Histamine H3 receptor CHEMBL264 | Ki | 8.96 | 8.96 | 1.1 | 1 |
| Histamine H3 receptor CHEMBL4124 | Kd | 8.2 | 8.2 | 6.3 | 1 |
| Histamine H3 receptor CHEMBL4124 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.59 | L/hr | Rattus norvegicus |
| CL | 1.15 | L/hr | Rattus norvegicus |
| F | 51.0 | % | Rattus norvegicus |
| T1/2 | 5.2 | hr | Rattus norvegicus |
| T1/2 | 5.5 | hr | Rattus norvegicus |
| T1/2 | 1.667 | hr | Homo sapiens |
| T1/2 | 1.667 | hr | Rattus norvegicus |
| T1/2 | 1.667 | hr | Canis lupus familiaris |
| Tmax | 2.7 | hr | Rattus norvegicus |
| Vz | 6.04 | l | Rattus norvegicus |
| Vz | 10.7 | l | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Kd | = | 0.8128 | nM | 9.09 | Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells as... | 19577344 |
| Histamine H3 receptor | Ki | = | 1.1 | nM | 8.96 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 19577344 |
| Histamine H3 receptor | Kd | = | 6.31 | nM | 8.2 | Antagonist activity at histamine H3 receptor in rat cortical hemispheres assesse... | 19577344 |
| Histamine H3 receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat co... | 19577344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19577344 | 10.1016/j.ejmech.2009.06.007 | Rattus norvegicus | 9 |
| 19577344 | 10.1016/j.ejmech.2009.06.007 | Histamine H3 receptor | 4 |
| 19577344 | 10.1016/j.ejmech.2009.06.007 | Liver microsomes | 2 |
| 19577344 | 10.1016/j.ejmech.2009.06.007 | Histamine H1 receptor | 1 |
| 19577344 | 10.1016/j.ejmech.2009.06.007 | Histamine H2 receptor | 1 |
| 19577344 | 10.1016/j.ejmech.2009.06.007 | Histamine H4 receptor | 1 |
| 19577344 | 10.1016/j.ejmech.2009.06.007 | Liver | 1 |
Data from ChEMBL 36 via Core Engine