Compound Detail
CHEMBL606772
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CC(=O)O[C@H]1CCCN2[C@H]1C[C@@H](OC(C)=O)[C@@H](n1cnc3ccccc3c1=O)C2(C)C
Basic Information
| ChEMBL ID | CHEMBL606772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUHUXWHCKSUBJC-UWHLTILDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
2.45
ALogP
8
HBA
0
HBD
90.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 7000.0 | nM | 5.16 | In vitro antimalarial activity against the Plasmodium falciparum FCR3 | 12036365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036365 | 10.1021/jm010448q | FM3A | 2 |
| 12036365 | 10.1021/jm010448q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine