Compound Detail
CHEMBL462375
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Basic Information
| ChEMBL ID | CHEMBL462375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDVLOEPBUIGUKP-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
2.24
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III CHEMBL3640 | IC50 | 7.46 | 7.46 | 34.4 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.42 | 4.2767 | 37800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III | IC50 | = | 34.4 | nM | 7.46 | Inhibition of Mycobacterium tuberculosis FabH | 18996691 |
| Plasmodium falciparum | IC50 | = | 37800.0 | nM | 4.42 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum D6 by ... | 19191586 |
| Plasmodium falciparum | IC50 | = | 60500.0 | nM | 4.22 | Antimalarial activity against Plasmodium falciparum TM91C235 by [3H]hypoxanthine... | 19191586 |
| Plasmodium falciparum | IC50 | = | 64300.0 | nM | 4.19 | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum W2 by ... | 19191586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19191586 | 10.1021/jm8008103 | Plasmodium falciparum | 3 |
| 19191586 | 10.1021/jm8008103 | ADMET | 2 |
| 18996691 | 10.1016/j.bmcl.2008.10.097 | Unchecked | 2 |
| 19191586 | 10.1021/jm8008103 | Unchecked | 1 |
| 18996691 | 10.1016/j.bmcl.2008.10.097 | Beta-ketoacyl-ACP-synthase III | 1 |
| 18996691 | 10.1016/j.bmcl.2008.10.097 | Mycobacterial beta-ketoacyl-[acyl-carrier-protein] synthase III | 1 |
| 18996691 | 10.1016/j.bmcl.2008.10.097 | Escherichia coli | 1 |
| 18996691 | 10.1016/j.bmcl.2008.10.097 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine