Compound Detail
CHEMBL609307
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Basic Information
| ChEMBL ID | CHEMBL609307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTARHUQAGSYYJO-PXNMLYILSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
3.33
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.0
EC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | EC50 | = | 1300.0 | nM | 5.89 | Antileishmanial activity against luciferase expressing axenic amastigote stage o... | 36126323 |
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of soybean 5-lipoxygenase by UV-absorbance based enzyme assay | 19853459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19853459 | 10.1016/j.bmc.2009.10.002 | Radical scavenging activity | 4 |
| 19853459 | 10.1016/j.bmc.2009.10.002 | NON-PROTEIN TARGET | 3 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 19853459 | 10.1016/j.bmc.2009.10.002 | No relevant target | 1 |
| 19853459 | 10.1016/j.bmc.2009.10.002 | Unchecked | 1 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | Aryl hydrocarbon receptor | 1 |
| 20392544 | 10.1016/j.ejmech.2010.03.023 | ADMET | 1 |
| 25455492 | 10.1016/j.bmcl.2014.10.019 | Histone deacetylase | 1 |
| 25455492 | 10.1016/j.bmcl.2014.10.019 | MCF7 | 1 |
| 25455492 | 10.1016/j.bmcl.2014.10.019 | HepG2 | 1 |
| 25455492 | 10.1016/j.bmcl.2014.10.019 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| 25455492 | 10.1016/j.bmcl.2014.10.019 | Retinoic acid receptor beta | 1 |
| 36126323 | 10.1021/acs.jmedchem.2c01150 | Leishmania infantum | 1 |
| 36126323 | 10.1021/acs.jmedchem.2c01150 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine