Compound Detail
CHEMBL1880565
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CCCCCCNC(=O)O[C@H]1Cn2c(=O)n(CCCCCC)c(=O)n2[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)C[C@]12O
Basic Information
| ChEMBL ID | CHEMBL1880565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRLGTVAJOSFOAX-FMGHJNRGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
593.8
MW (Da)
2.37
ALogP
10
HBA
2
HBD
144.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.99 | 4.99 | 10338.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10338.0 | nM | 4.99 | PubChem BioAssay. QFRET-based biochemical high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine