Compound Detail
CHEMBL1689704
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CCCCCCCCCCCOC(=O)[C@@H](CCC(=O)NC(CCCC(N)C(=O)O)C(=O)O)NC(=O)CCCCCCCCCCC
Basic Information
| ChEMBL ID | CHEMBL1689704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZFXEVDMARPOJB-QGVFFIPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
655.9
MW (Da)
6.40
ALogP
7
HBA
5
HBD
185.1
PSA (Ų)
0.04
QED
2
Ro5 Violations
32
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | EC50 | 9.87 | 9.87 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 | EC50 | = | 0.134 | nM | 9.87 | Agonist activity at human NOD-1 expressed in human HEK293 cells assessed as NF-k... | 21299227 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21299227 | 10.1021/jm101535e | Nucleotide-binding oligomerization domain-containing protein 1 | 1 |
Data from ChEMBL 36 via Core Engine