Compound Detail
CHEMBL4170350
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Basic Information
| ChEMBL ID | CHEMBL4170350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZXDGNMXRVTBSD-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
4.36
ALogP
4
HBA
0
HBD
28.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.26
Ki 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L5178Y CHEMBL614720 | IC50 | 8.26 | 8.0975 | 5.5 | 4 |
| Histamine H3 receptor CHEMBL264 | Ki | 5.47 | 5.47 | 3420.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L5178Y | IC50 | = | 5.48 | nM | 8.26 | Antiproliferative activity against mouse L5178Y cells by MTT assay | 32871268 |
| L5178Y | IC50 | = | 5.99 | nM | 8.22 | Antiproliferative activity against multidrug resistance mouse L5178Y cells expre... | 32871268 |
| L5178Y | IC50 | = | 10.49 | nM | 7.98 | Cytotoxicity against multidrug resistance mouse L5178Y cells expressing human MD... | 32871268 |
| L5178Y | IC50 | = | 11.67 | nM | 7.93 | Cytotoxicity against mouse L5178Y cells assessed as reduction in cell viability ... | 32871268 |
| Histamine H3 receptor | Ki | = | 3420.0 | nM | 5.47 | Displacement of [3H]Nalpha-methylhistamine from recombinant human H3 receptor ex... | 29723785 |
| Histamine H3 receptor | Ki | = | 3420.0 | nM | 5.47 | Binding affinity to at human H3 receptor | 32871268 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32871268 | 10.1016/j.bmcl.2020.127522 | L5178Y | 4 |
| 32871268 | 10.1016/j.bmcl.2020.127522 | ATP-dependent translocase ABCB1 | 3 |
| 29723785 | 10.1016/j.ejmech.2018.04.043 | Histamine H3 receptor | 1 |
| 32871268 | 10.1016/j.bmcl.2020.127522 | Histamine H3 receptor | 1 |
| 32871268 | 10.1016/j.bmcl.2020.127522 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine