Compound Detail
CHEMBL1688969
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Basic Information
| ChEMBL ID | CHEMBL1688969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUWPQNYVWRUDNF-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
259.4
MW (Da)
2.37
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.9
Ki 2 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.12 | 7.12 | 75.9 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 6.9 | 6.5667 | 125.9 | 3 |
| Histamine H3 receptor CHEMBL264 | EC50 | 6.6 | 6.6 | 251.2 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 6.11 | 6.11 | 776.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 75.86 | nM | 7.12 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 21348462 |
| Histamine H4 receptor | EC50 | = | 125.89 | nM | 6.9 | Agonist activity at histamine H4 receptor (unknown origin) expressed in HEK293T ... | 29939744 |
| Histamine H4 receptor | EC50 | = | 158.49 | nM | 6.8 | Agonist activity at human histamine H4 receptor expressed in HEK293 cells assess... | 21348462 |
| Histamine H3 receptor | EC50 | = | 251.19 | nM | 6.6 | Agonist activity at human histamine H3 receptor expressed in HEK293 cells assess... | 21348462 |
| Histamine H4 receptor | Ki | = | 776.25 | nM | 6.11 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 21348462 |
| Histamine H4 receptor | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at histamine H4 receptor (unknown origin) expressed in human U2... | 29939744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29939744 | 10.1021/acs.jmedchem.8b00435 | Histamine H4 receptor | 4 |
| 21348462 | 10.1021/jm1013488 | Histamine H3 receptor | 2 |
| 21348462 | 10.1021/jm1013488 | Histamine H4 receptor | 2 |
| 21348462 | 10.1021/jm1013488 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine