Compound Detail
CHEMBL4456232
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Basic Information
| ChEMBL ID | CHEMBL4456232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJYWPAMXOHZWNY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4595218 |
| Active Moiety | CHEMBL4595218 |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
409.6
MW (Da)
5.66
ALogP
3
HBA
0
HBD
43.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 8.3 | 7.488 | 5.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 4.96 | nM | 8.3 | Antimalarial activity against asexual stage of Plasmodium falciparum NF54 assess... | 31938463 |
| Plasmodium falciparum | IC50 | = | 6.1 | nM | 8.21 | Antimalarial activity against asexual stage of Plasmodium falciparum W2 assessed... | 31938463 |
| Plasmodium falciparum | IC50 | = | 13.3 | nM | 7.88 | Antimalarial activity against asexual stage of Plasmodium falciparum K1 assessed... | 31938463 |
| Plasmodium falciparum | IC50 | = | 237.0 | nM | 6.62 | Antimalarial activity against Plasmodium falciparum NF54 late gametocytes transf... | 31938463 |
| Plasmodium falciparum | IC50 | = | 370.0 | nM | 6.43 | Antimalarial activity against Plasmodium falciparum NF54 early gametocytes trans... | 31938463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31938463 | 10.1021/acsmedchemlett.9b00457 | Plasmodium falciparum | 5 |
| 34706190 | 10.1021/acs.jmedchem.1c01383 | Mycobacterium tuberculosis variant bovis BCG | 1 |
Data from ChEMBL 36 via Core Engine