Compound Detail
CHEMBL476455
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Basic Information
| ChEMBL ID | CHEMBL476455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHJCUJSTWXHHHI-OTYYAQKOSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
432.1
MW (Da)
6.43
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.50
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.64
EC50 1 meas. best 4.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.8 | 4.8 | 15900.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.8 | 4.8 | 15700.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.48 | 4.48 | 33300.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.2 | 4.2 | 63200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania amazonensis | IC50 | = | 2300.0 | nM | 5.64 | Antiparasitic activity against promastigote form of Leishmania amazonensis MHOM/... | 29920454 |
| NON-PROTEIN TARGET | IC50 | = | 11500.0 | nM | 4.94 | Cytotoxicity against human LS 174T cells after 72 hrs by MTT assay | 19243951 |
| HL-60 | IC50 | = | 15900.0 | nM | 4.8 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 19243951 |
| HeLa | IC50 | = | 15700.0 | nM | 4.8 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 19243951 |
| Trypanosoma cruzi | IC50 | = | 33300.0 | nM | 4.48 | Antiparasitic activity against epimastigote form of Trypanosoma cruzi Y assessed... | 29920454 |
| Trypanosoma cruzi | EC50 | = | 63200.0 | nM | 4.2 | Antiparasitic activity against trypomastigote form of Trypanosoma cruzi assessed... | 29920454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20346654 | 10.1016/j.bmcl.2010.02.089 | 17-beta-hydroxysteroid dehydrogenase type 3 | 3 |
| 29920454 | 10.1016/j.ejmech.2018.06.031 | Unchecked | 3 |
| 29920454 | 10.1016/j.ejmech.2018.06.031 | Trypanosoma cruzi | 2 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | HL-60 | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | NON-PROTEIN TARGET | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | HeLa | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | No relevant target | 1 |
| 29920454 | 10.1016/j.ejmech.2018.06.031 | Leishmania amazonensis | 1 |
| 29920454 | 10.1016/j.ejmech.2018.06.031 | Vero | 1 |
| 31195169 | 10.1016/j.ejmech.2019.05.078 | CREB-binding protein | 1 |
Data from ChEMBL 36 via Core Engine