Compound Detail
CHEMBL1783974
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Basic Information
| ChEMBL ID | CHEMBL1783974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDDPDGBPFDDYBY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
388.6
MW (Da)
4.04
ALogP
4
HBA
0
HBD
24.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | IC50 | 5.55 | 5.55 | 2790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | IC50 | = | 2790.0 | nM | 5.55 | Antagonist activity at human histamine H1 receptor in SK-N-SH cells assessed as ... | 19443217 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19443217 | 10.1016/j.bmcl.2009.04.128 | Histamine H1 receptor | 2 |
| 19443217 | 10.1016/j.bmcl.2009.04.128 | 5-hydroxytryptamine receptor 6 | 1 |
Data from ChEMBL 36 via Core Engine