Compound Detail
CHEMBL4519189
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Basic Information
| ChEMBL ID | CHEMBL4519189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMYOMNNOATYHGH-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.27
ALogP
6
HBA
0
HBD
58.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.27
Ki 2 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L5178Y CHEMBL614720 | IC50 | 7.27 | 7.19 | 53.2 | 2 |
| Histamine H3 receptor CHEMBL264 | Ki | 5.63 | 5.63 | 2316.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L5178Y | IC50 | = | 53.21 | nM | 7.27 | Antiproliferative activity against mouse L5178Y cells by MTT assay | 32871268 |
| L5178Y | IC50 | = | 77.49 | nM | 7.11 | Antiproliferative activity against multidrug resistance mouse L5178Y cells expre... | 32871268 |
| Histamine H3 receptor | Ki | = | 2316.0 | nM | 5.63 | Displacement of [3H]N-alpha-methylhistamine from full length recombinant human H... | 30448256 |
| Histamine H3 receptor | Ki | = | 2316.0 | nM | 5.63 | Binding affinity to at human H3 receptor | 32871268 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32871268 | 10.1016/j.bmcl.2020.127522 | L5178Y | 3 |
| 32871268 | 10.1016/j.bmcl.2020.127522 | ATP-dependent translocase ABCB1 | 2 |
| 30448256 | 10.1016/j.bmc.2018.11.010 | Histamine H3 receptor | 1 |
| 32871268 | 10.1016/j.bmcl.2020.127522 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine