Compound Detail
CHEMBL508283
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Basic Information
| ChEMBL ID | CHEMBL508283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GREWJSSEUGRGIT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
3.29
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.84 | 5.84 | 1450.0 | 1 |
| Leptomonas seymouri CHEMBL612917 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Crithidia fasciculata CHEMBL612650 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 1450.0 | nM | 5.84 | Cytotoxicity in human K562 cells by SRB assay | 28793973 |
| Leptomonas seymouri | IC50 | = | 4000.0 | nM | 5.4 | Antitrypanosomal activity against Leptomonas seymouri | 18276039 |
| Crithidia fasciculata | IC50 | = | 6000.0 | nM | 5.22 | Antitrypanosomal activity against Crithidia fasciculata | 18276039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27680587 | 10.1016/j.bmcl.2016.09.044 | Salmonella typhi | 2 |
| 27680587 | 10.1016/j.bmcl.2016.09.044 | Cutibacterium acnes | 2 |
| 27680587 | 10.1016/j.bmcl.2016.09.044 | Streptococcus sobrinus | 2 |
| 27680587 | 10.1016/j.bmcl.2016.09.044 | Staphylococcus aureus | 2 |
| 27680587 | 10.1016/j.bmcl.2016.09.044 | Streptococcus mutans | 2 |
| 23734721 | 10.1021/np4000747 | A549 | 1 |
| 28793973 | 10.1016/j.ejmech.2017.07.034 | K562 | 1 |
| 25599949 | 10.1016/j.ejmech.2015.01.026 | Artemia salina | 1 |
| 23734721 | 10.1021/np4000747 | Liver microsomes | 1 |
| 18276039 | 10.1016/j.ejmech.2007.12.023 | No relevant target | 1 |
| 23734721 | 10.1021/np4000747 | Bel-7402 | 1 |
| 23734721 | 10.1021/np4000747 | BGC-823 | 1 |
| 23734721 | 10.1021/np4000747 | HCT-8 | 1 |
| 23734721 | 10.1021/np4000747 | A2780 | 1 |
| 23734721 | 10.1021/np4000747 | Coxsackievirus | 1 |
| 18276039 | 10.1016/j.ejmech.2007.12.023 | Crithidia fasciculata | 1 |
| 18276039 | 10.1016/j.ejmech.2007.12.023 | Leptomonas seymouri | 1 |
Data from ChEMBL 36 via Core Engine