Compound Detail
CHEMBL1689706
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CCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CCCC(N)C(=O)O)C(=O)O)C(=O)OCC
Basic Information
| ChEMBL ID | CHEMBL1689706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNLDHWNRVCPNAH-XVAXZDLZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
529.7
MW (Da)
2.89
ALogP
7
HBA
5
HBD
185.1
PSA (Ų)
0.10
QED
1
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | EC50 | 10.16 | 10.16 | 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 | = | 0.069 | nM | 10.16 | 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