Compound Detail
CHEMBL6064855
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N=C(NCCCCc1ccc(C[C@H](NCCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(N)=O)c2ccccc12)NC(=O)c1nc(Cl)c(N)nc1N
Basic Information
| ChEMBL ID | CHEMBL6064855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQVXLIBFBITDFK-YYRKEJDHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
883.4
MW (Da)
-4.73
ALogP
19
HBA
17
HBD
403.5
PSA (Ų)
0.02
QED
3
Ro5 Violations
26
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.39 | 7.39 | 40.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 40.8 | nM | 7.39 | In Vitro Measure of Sodium Channel Blocking Activity and Reversibility: One assa... | - |
Data from ChEMBL 36 via Core Engine