Compound Detail
CHEMBL1243120
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Basic Information
| ChEMBL ID | CHEMBL1243120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPKNZNHZSRMQEX-MQQKCMAXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
364.2
MW (Da)
5.56
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Enoyl-acyl carrier reductase CHEMBL1250368 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Enoyl-acyl carrier reductase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of Toxoplasma gondii enoyl reductase | 20698542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20698542 | 10.1021/jm9017724 | Toxoplasma gondii | 2 |
| 20698542 | 10.1021/jm9017724 | HFF | 1 |
| 20698542 | 10.1021/jm9017724 | Enoyl-acyl carrier reductase | 1 |
Data from ChEMBL 36 via Core Engine