Compound Detail
CHEMBL1243084
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Basic Information
| ChEMBL ID | CHEMBL1243084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQTHVFMLHOSDQC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
307.7
MW (Da)
4.70
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Bacillus anthracis enoyl ACP reductase assessed as inhibition of b... | 32883635 |
| Toxoplasma gondii | IC50 | = | 6000.0 | nM | 5.22 | Antiparasitic activity against Toxoplasma gondii infected in HFF cells by fluore... | 34894691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32883635 | 10.1016/j.ejmech.2020.112757 | Staphylococcus aureus | 3 |
| 20698542 | 10.1021/jm9017724 | HFF | 2 |
| 20698542 | 10.1021/jm9017724 | Toxoplasma gondii | 2 |
| 32883635 | 10.1016/j.ejmech.2020.112757 | Unchecked | 2 |
| 20698542 | 10.1021/jm9017724 | Enoyl-acyl carrier reductase | 1 |
| 32883635 | 10.1016/j.ejmech.2020.112757 | Bacillus anthracis | 1 |
| 32883635 | 10.1016/j.ejmech.2020.112757 | HeLa | 1 |
| 34894691 | 10.1021/acs.jmedchem.1c01569 | Unchecked | 1 |
| 34894691 | 10.1021/acs.jmedchem.1c01569 | Toxoplasma gondii | 1 |
Data from ChEMBL 36 via Core Engine