Compound Detail
CHEMBL2058839
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CC(C)(N)C(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2Nc2ccc(F)c(F)c2)C1(C)C
Basic Information
| ChEMBL ID | CHEMBL2058839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLKQZPRZINRQOP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
4.53
ALogP
5
HBA
2
HBD
76.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.15 | 8.02 | 7.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 7.0 | nM | 8.15 | Antimalarial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gree... | 22524250 |
| Plasmodium falciparum | EC50 | = | 13.0 | nM | 7.89 | Antimalarial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR gre... | 22524250 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22524250 | 10.1021/jm300041e | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine