Compound Detail
CHEMBL2347835
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Basic Information
| ChEMBL ID | CHEMBL2347835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGPLABHTYVGWKB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
334.7
MW (Da)
3.98
ALogP
6
HBA
2
HBD
97.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-acyl carrier reductase CHEMBL1250368 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 5.13 | 5.13 | 7320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-acyl carrier reductase | IC50 | = | 58.0 | nM | 7.24 | Inhibition of Toxoplasma gondii enoyl reductase assessed as conversion of trans-... | 23453069 |
| Toxoplasma gondii | IC50 | = | 7320.0 | nM | 5.13 | AntiToxoplasma gondii activity data 2-day killing assay: IC50 (uM), Experiment F | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3832761 | Toxoplasma gondii | 6 |
| 23453069 | 10.1016/j.bmcl.2013.02.019 | Enoyl-acyl carrier reductase | 2 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513149 | HEK293 | 1 |
| - | 10.6019/CHEMBL4513149 | Erythrocyte | 1 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513149 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513149 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513149 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513149 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 1 |
| 23453069 | 10.1016/j.bmcl.2013.02.019 | Toxoplasma gondii | 1 |
| 23453069 | 10.1016/j.bmcl.2013.02.019 | HFF | 1 |
Data from ChEMBL 36 via Core Engine