Compound Detail
CHEMBL272416
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Basic Information
| ChEMBL ID | CHEMBL272416 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIDZFCKALNOFJU-UHFFFAOYSA-N |
4
Targets
21
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
263.8
MW (Da)
3.30
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 19 meas. best 8.05
Kd 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.05 | 7.2388 | 8.9 | 17 |
| MRC5 CHEMBL614181 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| Nucleic Acid CHEMBL345 | Kd | 5.1 | 4.93 | 8000.0 | 2 |
| NCH89 CHEMBL614192 | IC50 | 4.52 | 4.52 | 30400.0 | 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 |
| 18260613 | 10.1021/jm7009292 | Plasmodium falciparum | 3 |
| 18260613 | 10.1021/jm7009292 | KB | 1 |
| 19188070 | 10.1016/j.bmc.2009.01.013 | Mycobacterium tuberculosis | 1 |
| 20329733 | 10.1021/jm9018383 | Unchecked | 1 |
| 20329733 | 10.1021/jm9018383 | MRC5 | 1 |
| 20329733 | 10.1021/jm9018383 | NCH89 | 1 |
Data from ChEMBL 36 via Core Engine