Compound Detail
CHEMBL3910350
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CCCCCC[N+](C)(C)CCCCCC(=O)NCCCCCCNC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]23NC(=N)N[C@@H]13
Basic Information
| ChEMBL ID | CHEMBL3910350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHFQMZGWWBEMNU-VQGKEWTASA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
624.9
MW (Da)
1.09
ALogP
7
HBA
9
HBD
194.9
PSA (Ų)
0.05
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 4 subunit alpha CHEMBL3509 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 4 subunit alpha | IC50 | = | 15.0 | nM | 7.82 | Binding Assay: In initial studies, we designed a set of molecules with branching... | - |
Data from ChEMBL 36 via Core Engine