Compound Detail
CHEMBL2440335
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CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC1SC(=S)N(Cc2ccc(OC)cc2)C1=O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2440335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPIKTBBIYLRDDB-UYRQCKRZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
707.9
MW (Da)
0.34
ALogP
10
HBA
8
HBD
247.8
PSA (Ų)
0.04
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| dengue virus type 2 CHEMBL613966 | EC50 | 4.52 | 4.52 | 30300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| dengue virus type 2 | EC50 | = | 30300.0 | nM | 4.52 | Antiviral activity against Dengue virus 2 infected in human Huh-7 cells assessed... | 24083834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24083834 | 10.1021/jm400828u | Unchecked | 2 |
| 24083834 | 10.1021/jm400828u | dengue virus type 2 | 1 |
| 24083834 | 10.1021/jm400828u | ADMET | 1 |
| 24083834 | 10.1021/jm400828u | Prothrombin | 1 |
Data from ChEMBL 36 via Core Engine