Compound Detail
CHEMBL3183207
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Basic Information
| ChEMBL ID | CHEMBL3183207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOQXIWFBQSVDPP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
124.1
MW (Da)
1.64
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Botulinum neurotoxin type A CHEMBL5192 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| 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 |
|---|---|---|---|---|---|---|---|
| Botulinum neurotoxin type A | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of protease activity of recombinant full length Clostridium botulinum... | 28043798 |
| 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 |
|---|---|---|---|
| 28043798 | 10.1016/j.bmcl.2016.11.019 | Botulinum neurotoxin type A | 1 |
| 31097402 | 10.1016/j.bmc.2019.05.001 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 30594028 | 10.1016/j.ejmech.2018.11.026 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine