Compound Detail
CHEMBL260549
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Basic Information
| ChEMBL ID | CHEMBL260549 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFJVHWQDKIEBCM-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
313.2
MW (Da)
1.98
ALogP
4
HBA
1
HBD
52.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.25
EC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 8.25 | 8.24 | 5.6 | 3 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 7.6 | 7.6 | 25.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 5.623 | nM | 8.25 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... | 18357976 |
| Histamine H4 receptor | Ki | = | 5.623 | nM | 8.25 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK ... | 19053770 |
| Histamine H4 receptor | Ki | = | 6.0 | nM | 8.22 | Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membr... | 22153663 |
| Histamine H4 receptor | EC50 | = | 25.12 | nM | 7.6 | Agonist activity at histamine H4 receptor (unknown origin) expressed in human U2... | 29939744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18357976 | 10.1021/jm7014217 | Rattus norvegicus | 2 |
| 29939744 | 10.1021/acs.jmedchem.8b00435 | Histamine H4 receptor | 2 |
| 18357976 | 10.1021/jm7014217 | Histamine H4 receptor | 1 |
| 18357976 | 10.1021/jm7014217 | Histamine H1 receptor | 1 |
| 18357976 | 10.1021/jm7014217 | Histamine H2 receptor | 1 |
| 18357976 | 10.1021/jm7014217 | Histamine H3 receptor | 1 |
| 19053770 | 10.1021/jm800876b | Histamine H4 receptor | 1 |
| 22153663 | 10.1016/j.bmcl.2011.10.104 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine