Compound Detail
CHEMBL1490875
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Basic Information
| ChEMBL ID | CHEMBL1490875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOBOYMKCRRLTRF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL19439 |
| Active Moiety | CHEMBL19439 |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
170.2
MW (Da)
0.58
ALogP
3
HBA
3
HBD
78.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.2
EC50 2 meas. best 10.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | EC50 | 10.16 | 10.13 | 0.1 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 9.2 | 9.2 | 0.6 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 8.31 | 8.31 | 4.9 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.39 | 5.39 | 4035.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | EC50 | = | 0.06918 | nM | 10.16 | Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F ... | 29704723 |
| Histamine H3 receptor | EC50 | = | 0.08 | nM | 10.1 | Agonist activity at human H3R expressed in HEK293 cells harboring glosensor-22F ... | 29704723 |
| Histamine H3 receptor | Ki | = | 0.6325 | nM | 9.2 | PDSP Secondary Binding target: HRH3 - Compounds are tested at 10 uM concentratio... | - |
| Histamine H4 receptor | Ki | = | 4.862 | nM | 8.31 | PDSP Secondary Binding target: HRH4 - Compounds are tested at 10 uM concentratio... | - |
| Alpha-2A adrenergic receptor | Ki | = | 4035.52 | nM | 5.39 | PDSP Secondary Binding target: ADRA2A - Compounds are tested at 10 uM concentrat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | U2OS | 9 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 7 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 5 |
| - | 10.6019/CHEMBL5209801 | Sphingosine 1-phosphate receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Apelin receptor | 5 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 5 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 5 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 5 |
| - | 10.6019/CHEMBL5209801 | Adhesion G-protein coupled receptor F1 | 5 |
| 29704723 | 10.1016/j.ejmech.2018.04.020 | Histamine H3 receptor | 3 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5209801 | G-protein coupled receptor 35 | 2 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
Data from ChEMBL 36 via Core Engine