Compound Detail
CHEMBL1234746
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Basic Information
| ChEMBL ID | CHEMBL1234746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUCPXASBGVCWFQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
287.8
MW (Da)
4.66
ALogP
3
HBA
1
HBD
53.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 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 |
|---|---|---|---|---|---|---|---|
| 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 |
|---|---|---|---|
| 20698542 | 10.1021/jm9017724 | Toxoplasma gondii | 3 |
| 20698542 | 10.1021/jm9017724 | HFF | 2 |
| 20698542 | 10.1021/jm9017724 | Enoyl-acyl carrier reductase | 1 |
| 20698542 | 10.1021/jm9017724 | Cytochrome P450 2C9 | 1 |
| 20698542 | 10.1021/jm9017724 | Cytochrome P450 2D6 | 1 |
| 20698542 | 10.1021/jm9017724 | Cytochrome P450 3A4 | 1 |
| 20698542 | 10.1021/jm9017724 | Liver microsomes | 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