Compound Detail
CHEMBL153452
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Basic Information
| ChEMBL ID | CHEMBL153452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMLDMNPGGINIGV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
4.18
ALogP
4
HBA
0
HBD
38.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toxoplasma gondii CHEMBL612888 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
| ATP-dependent translocase ABCB1 CHEMBL3467 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toxoplasma gondii | IC50 | = | 12000.0 | nM | 4.92 | Antiparasitic activity against tachyzoite stage of Toxoplasma gondii expressing ... | 29598911 |
| ATP-dependent translocase ABCB1 | IC50 | = | 41000.0 | nM | 4.39 | Inhibitory activity against P-glycoprotein (Pgp) using accumulation assay for Pg... | 11844674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29598911 | 10.1016/j.bmcl.2018.03.036 | Toxoplasma gondii | 2 |
| 11844674 | 10.1016/s0960-894x(01)00804-6 | ATP-dependent translocase ABCB1 | 1 |
| 11844674 | 10.1016/s0960-894x(01)00804-6 | Multidrug resistance-associated protein 1 | 1 |
| 29598911 | 10.1016/j.bmcl.2018.03.036 | HFF | 1 |
| 29598911 | 10.1016/j.bmcl.2018.03.036 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine