Compound Detail
CHEMBL478481
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Basic Information
| ChEMBL ID | CHEMBL478481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLOHWWSWUAXAGS-UNZYHPAISA-N |
7
Targets
8
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
343.2
MW (Da)
6.21
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.59
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.38
EC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| BGC-823 CHEMBL614526 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.56 | 4.56 | 27800.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.44 | 4.44 | 36200.0 | 1 |
| KB CHEMBL398 | IC50 | 4.01 | 4.01 | 98300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 4200.0 | nM | 5.38 | Cytotoxicity against human LS 174T cells after 72 hrs by MTT assay | 19243951 |
| BGC-823 | IC50 | = | 4400.0 | nM | 5.36 | Cytotoxicity against human BGC823 cells after 72 hrs by MTT assay | 19243951 |
| Leishmania amazonensis | IC50 | = | 4600.0 | nM | 5.34 | Antiparasitic activity against promastigote form of Leishmania amazonensis MHOM/... | 29920454 |
| HL-60 | IC50 | = | 6700.0 | nM | 5.17 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 19243951 |
| PC-3 | IC50 | = | 13800.0 | nM | 4.86 | Cytotoxicity against human PC3 cells after 72 hrs by MTT assay | 19243951 |
| Trypanosoma cruzi | IC50 | = | 27800.0 | nM | 4.56 | Antiparasitic activity against epimastigote form of Trypanosoma cruzi Y assessed... | 29920454 |
| Trypanosoma cruzi | EC50 | = | 36200.0 | nM | 4.44 | Antiparasitic activity against trypomastigote form of Trypanosoma cruzi assessed... | 29920454 |
| KB | IC50 | = | 98300.0 | nM | 4.01 | Cytotoxicity against human KB cells after 72 hrs by MTT assay | 19243951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 29920454 | 10.1016/j.ejmech.2018.06.031 | Unchecked | 3 |
| 29920454 | 10.1016/j.ejmech.2018.06.031 | Trypanosoma cruzi | 2 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | BGC-823 | 1 |
| 19243951 | 10.1016/j.bmc.2008.10.044 | KB | 1 |
| 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 | PC-3 | 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 |
Data from ChEMBL 36 via Core Engine