Compound Detail
CHEMBL5767973
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CC(C)NC(=O)COc1cccc(-c2nc3c(c(Nc4ccc(-c5cn[nH]c5)cc4)n2)CN(C(=O)C(C)C)CC3)c1
Basic Information
| ChEMBL ID | CHEMBL5767973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJESBDOOFMTVBY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
4.72
ALogP
7
HBA
3
HBD
125.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hexose transporter 1 CHEMBL4697 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 55.0 | nM | 7.26 | ATP Assay: HT1080 cells (as well as other cell types) were plated to confluency ... | - |
| Hexose transporter 1 | IC50 | = | 55.0 | nM | 7.26 | Lactate Excretion Assays: Parasite cultures were seeded in 96-well plates (1% he... | - |
Data from ChEMBL 36 via Core Engine