Compound Detail
CHEMBL1160389
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N=C(N)N(CCCCCCNCc1ccc2ccccc2c1)CCSSCCN(CCCCCCNCc1ccc2ccccc2c1)C(=N)N
Basic Information
| ChEMBL ID | CHEMBL1160389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUZOVXZGEMFFFN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
715.1
MW (Da)
7.77
ALogP
6
HBA
6
HBD
130.3
PSA (Ų)
0.02
QED
3
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 14800.0 | nM | 4.83 | Concentration producing half maximal displacement of [3H]NPY specific binding fr... | 7913507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7913507 | 10.1021/jm00040a018 | Unchecked | 2 |
| 7913507 | 10.1021/jm00040a018 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine