Compound Detail
CHEMBL1910386
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(c1cc2ccccc2[nH]1)N1CCN(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1
Basic Information
| ChEMBL ID | CHEMBL1910386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLBZLFNYOYVBFX-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
579.7
MW (Da)
5.04
ALogP
6
HBA
2
HBD
72.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.26
Kd 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL3943 | Kd | 8.42 | 8.42 | 3.8 | 1 |
| Histamine H1 receptor CHEMBL231 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| Histamine H4 receptor CHEMBL3759 | Ki | 4.98 | 4.98 | 10471.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Kd | = | 3.802 | nM | 8.42 | Antagonist activity at H1R in guinea pig ileum assessed as inhibition of histami... | 21944853 |
| Histamine H1 receptor | Ki | = | 5.495 | nM | 8.26 | Displacement of [3H]mepyramine from human H1R expressed in Sf9 cells co-expressi... | 21944853 |
| Histamine H4 receptor | Ki | = | 10471.29 | nM | 4.98 | Displacement of [3H]histamine from human H4R expressed in Sf9 cells co-expressin... | 21944853 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21944853 | 10.1016/j.bmcl.2011.09.001 | Histamine H1 receptor | 3 |
| 21944853 | 10.1016/j.bmcl.2011.09.001 | Histamine H4 receptor | 1 |
Data from ChEMBL 36 via Core Engine