Compound Detail
CHEMBL2030496
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Cc1c(-c2ccc(CN3CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)nc2)[nH]c2ccccc2c1=O
Basic Information
| ChEMBL ID | CHEMBL2030496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCSHPXHAHJKKOH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
508.5
MW (Da)
5.11
ALogP
5
HBA
1
HBD
61.5
PSA (Ų)
0.39
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.17 | 6.17 | 679.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 679.0 | nM | 6.17 | Antimalarial activity against blood stage forms of Plasmodium falciparum 3D7 inf... | 22364417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22364417 | 10.1021/jm201184h | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine