Compound Detail
CHEMBL3962993
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N=C1CCCC(O)(O)C2NC(=N)NC2C(COC(=O)NCCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)N1
Basic Information
| ChEMBL ID | CHEMBL3962993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APSPHODGMQVFBN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
551.6
MW (Da)
0.04
ALogP
8
HBA
9
HBD
208.8
PSA (Ų)
0.12
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 4 subunit alpha CHEMBL3509 | IC50 | 7.06 | 7.06 | 87.0 | 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 | = | 87.0 | nM | 7.06 | Binding Assay: In initial studies, we designed a set of molecules with branching... | - |
Data from ChEMBL 36 via Core Engine