Compound Detail
CHEMBL1256650
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CN(C)c1ccc(C(=O)N[C@@H](CSCCCC(=O)NO)C(=O)Nc2ccc(-c3ccccc3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL1256650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCKJYGRBLUDRMY-VWLOTQADSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
520.7
MW (Da)
4.18
ALogP
6
HBA
4
HBD
110.8
PSA (Ų)
0.16
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 6.89 | 6.89 | 128.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 128.0 | nM | 6.89 | Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 in... | 18212103 |
| ADMET | IC50 | = | 320.0 | nM | 6.5 | Toxicity in neonatal foreskin fibroblasts | 18212103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18212103 | 10.1128/aac.00757-07 | Plasmodium falciparum | 1 |
| 18212103 | 10.1128/aac.00757-07 | ADMET | 1 |
| 18212103 | 10.1128/aac.00757-07 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine