Compound Detail
CHEMBL1083162
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Basic Information
| ChEMBL ID | CHEMBL1083162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTGZGHPOXFQXNP-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.31
ALogP
4
HBA
3
HBD
78.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.25
Ki 1 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H4 receptor CHEMBL3759 | Ki | 9.68 | 9.68 | 0.2 | 1 |
| Histamine H4 receptor CHEMBL3759 | EC50 | 9.25 | 9.25 | 0.6 | 1 |
| Histamine H4 receptor CHEMBL5657 | EC50 | 7.41 | 6.835 | 39.0 | 2 |
| Histamine H3 receptor CHEMBL264 | EC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H4 receptor | Ki | = | 0.21 | nM | 9.68 | Displacement of [3H]histamine from human recombinant histamine H4 receptor | 20452213 |
| Histamine H4 receptor | EC50 | = | 0.56 | nM | 9.25 | Agonist activity at human histamine H4 receptor in SK-N-MC cells assessed as for... | 20452213 |
| Histamine H4 receptor | EC50 | = | 39.0 | nM | 7.41 | Intrinsic activity at mouse histamine H4 receptor expressed in human SK-N-MC cel... | 20452213 |
| Histamine H4 receptor | EC50 | = | 548.0 | nM | 6.26 | Displacement of [3H]histamine from mouse recombinant histamine H4 receptor | 20452213 |
| Histamine H3 receptor | EC50 | = | 9000.0 | nM | 5.05 | Displacement of [125H]iodoproxyphan from human recombinant histamine H3 receptor... | 20452213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20452213 | 10.1016/j.bmcl.2010.04.017 | Histamine H4 receptor | 6 |
| 20452213 | 10.1016/j.bmcl.2010.04.017 | Histamine H1 receptor | 1 |
| 20452213 | 10.1016/j.bmcl.2010.04.017 | Histamine H2 receptor | 1 |
| 20452213 | 10.1016/j.bmcl.2010.04.017 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine