Compound Detail
CHEMBL1096247
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Basic Information
| ChEMBL ID | CHEMBL1096247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWPPQNOPNLQAMI-UHFFFAOYSA-N |
5
Targets
23
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
423.0
MW (Da)
5.51
ALogP
4
HBA
2
HBD
40.2
PSA (Ų)
0.45
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 21 meas. best 8.7
Kd 2 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 8.15 | 7.5517 | 7.1 | 18 |
| MRC5 CHEMBL614181 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Nucleic Acid CHEMBL345 | Kd | 6.0 | 5.7 | 1000.0 | 2 |
| NCH89 CHEMBL614192 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20329733 | 10.1021/jm9018383 | Plasmodium falciparum | 27 |
| 20329733 | 10.1021/jm9018383 | Nucleic Acid | 8 |
| 25913864 | 10.1016/j.bmc.2015.04.017 | Plasmodium falciparum | 3 |
| 20329733 | 10.1021/jm9018383 | Mus musculus | 2 |
| 20329733 | 10.1021/jm9018383 | Plasmodium berghei | 2 |
| 20329733 | 10.1021/jm9018383 | Unchecked | 1 |
| 20329733 | 10.1021/jm9018383 | MRC5 | 1 |
| 20329733 | 10.1021/jm9018383 | NCH89 | 1 |
| 25913864 | 10.1016/j.bmc.2015.04.017 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine