Compound Detail
CHEMBL62803
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Basic Information
| ChEMBL ID | CHEMBL62803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLVMZEQCHVFJEJ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.99
ALogP
5
HBA
0
HBD
59.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL4124 | Ki | 9.0 | 8.815 | 1.0 | 4 |
| Histamine H1 receptor CHEMBL231 | Ki | 6.56 | 6.56 | 275.4 | 1 |
| Histamine H2 receptor CHEMBL1941 | Ki | 4.9 | 4.9 | 12589.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | - | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 1.0 | nM | 9.0 | Binding affinity for rat histamine H3 receptor on rat cortical cells | 14741266 |
| Histamine H3 receptor | Ki | = | 1.38 | nM | 8.86 | Binding affinity for the rat cortical Histamine H3 receptor | 12113835 |
| Histamine H3 receptor | Ki | = | 2.0 | nM | 8.7 | Binding affinity towards rats Histamine type 3 (H3) receptor | 12372500 |
| Histamine H3 receptor | Ki | = | 2.0 | nM | 8.7 | Binding affinity to rat cortical histamine H3 receptor | 21062081 |
| Histamine H1 receptor | Ki | = | 275.42 | nM | 6.56 | Binding affinity for the human Histamine H1 Receptor | 12113835 |
| Histamine H2 receptor | Ki | = | 12589.25 | nM | 4.9 | Binding affinity for the human Histamine H2 receptor | 12113835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12372500 | 10.1016/s0960-894x(02)00685-6 | Histamine H3 receptor | 1 |
| 14741266 | 10.1016/j.bmcl.2003.11.038 | Histamine H3 receptor | 1 |
| 12113835 | 10.1016/s0960-894x(02)00309-8 | Histamine H3 receptor | 1 |
| 12113835 | 10.1016/s0960-894x(02)00309-8 | Histamine H1 receptor | 1 |
| 12113835 | 10.1016/s0960-894x(02)00309-8 | Histamine H2 receptor | 1 |
| 12113836 | 10.1016/s0960-894x(02)00310-4 | Rattus norvegicus | 1 |
| 21062081 | 10.1021/jm100064d | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine