Compound Detail
CHEMBL3600462
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Basic Information
| ChEMBL ID | CHEMBL3600462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFJOYVQIDSNLHC-ZMSDIMECSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
3.67
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 82.0 | nM | 7.09 | Antimalarial activity against CQ-sensitive Plasmodium falciparum NF54 assessed a... | 25573118 |
| No relevant target | IC50 | = | 66000.0 | nM | 4.18 | Inhibition of beta-hematin formation | 25573118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25573118 | 10.1016/j.bmc.2014.12.020 | Plasmodium falciparum | 1 |
| 25573118 | 10.1016/j.bmc.2014.12.020 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine