Compound Detail
CHEMBL2169982
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COc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cc(-c3cccnc3)cc(C(F)(F)F)c1)CC2
Basic Information
| ChEMBL ID | CHEMBL2169982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YAZJLXFAUHRWKL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
481.4
MW (Da)
6.39
ALogP
3
HBA
1
HBD
54.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 6.85 | 6.47 | 140.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human 5HT2c receptor expressed in CHO-K1 cells assessed as inhibit... | 24900481 |
| Plasmodium falciparum | IC50 | = | 140.0 | nM | 6.85 | Antiplasmodial activity against Plasmodium falciparum 3D7A assessed as inhibitio... | 24900481 |
| Plasmodium falciparum | IC50 | = | 810.0 | nM | 6.09 | Antiplasmodial activity against Plasmodium falciparum Dd2 assessed as inhibition... | 24900481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900481 | 10.1021/ml300008j | Plasmodium falciparum | 3 |
| 24900481 | 10.1021/ml300008j | Unchecked | 1 |
| 24900481 | 10.1021/ml300008j | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine