Compound Detail
CHEMBL137846
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Basic Information
| ChEMBL ID | CHEMBL137846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJAKORSMLGOYRP-WEVVVXLNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
307.2
MW (Da)
4.90
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SGC-7901 CHEMBL614909 | IC50 | 4.9 | 4.9 | 12580.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.72 | 4.72 | 18870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SGC-7901 | IC50 | = | 12580.0 | nM | 4.9 | Cytotoxicity against Homo sapiens (human) SGC7901 cells after 72 hr by MTT assay | - |
| Plasmodium falciparum | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
| HT-29 | IC50 | = | 18870.0 | nM | 4.72 | Cytotoxicity against Homo sapiens (human) HT-29 cells after 72 hr by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9602-8 | Plutella xylostella | 3 |
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
| - | 10.1007/s00044-011-9549-9 | HT-29 | 1 |
| - | 10.1007/s00044-011-9549-9 | SGC-7901 | 1 |
Data from ChEMBL 36 via Core Engine