Compound Detail
CHEMBL164236
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Basic Information
| ChEMBL ID | CHEMBL164236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXRFQSNOROATLV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
151.1
MW (Da)
1.41
ALogP
3
HBA
0
HBD
60.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16-F10 CHEMBL612656 | IC50 | 4.15 | 4.15 | 70740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16-F10 | IC50 | = | 70740.0 | nM | 4.15 | Cytotoxicity against mouse B16F10 cells assessed as reduction in cell viability | 30594028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Leishmania amazonensis | 2 |
| 35212533 | 10.1021/acs.jmedchem.1c01367 | Aldehyde dehydrogenase, dimeric NADP-preferring | 2 |
| 1995902 | 10.1021/jm00106a046 | Salmonella typhimurium | 1 |
| 1995902 | 10.1021/jm00106a046 | No relevant target | 1 |
| 17512740 | 10.1016/j.bmc.2007.05.013 | Mus musculus | 1 |
| 28197313 | 10.1021/acsmedchemlett.6b00417 | Myeloperoxidase | 1 |
| 30826292 | 10.1016/j.bmcl.2019.02.025 | Unchecked | 1 |
| 31097402 | 10.1016/j.bmc.2019.05.001 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 30376325 | 10.1021/acs.jmedchem.8b01602 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 30777661 | 10.1016/j.bmc.2019.02.015 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 30594028 | 10.1016/j.ejmech.2018.11.026 | B16-F10 | 1 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Peritoneal macrophage | 1 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | Leishmania infantum | 1 |
| 34531949 | 10.1021/acsmedchemlett.1c00193 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine