Compound Detail
CHEMBL1197732
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NC1CCN(C(=O)C[C@H]2CC[C@]3(CC2)OO[C@]2(O3)C3CC4CC(C3)CC2C4)CC1
Basic Information
| ChEMBL ID | CHEMBL1197732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYXITSAGDMXKJI-VYXLEDAHSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
404.6
MW (Da)
3.34
ALogP
5
HBA
1
HBD
74.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 8.89 | 8.89 | 1.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 4.617 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 1.3 | nM | 8.89 | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 i... | 28692297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28692297 | 10.1021/acs.jmedchem.7b00699 | Liver | 3 |
| 28692297 | 10.1021/acs.jmedchem.7b00699 | Plasmodium berghei | 2 |
| 28692297 | 10.1021/acs.jmedchem.7b00699 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine