Compound Detail
CHEMBL1689705
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CCCCCCCCCCCOC(=O)[C@@H](CCC(=O)NC(CCCC(N)C(=O)O)C(=O)O)NC(=N)N
Basic Information
| ChEMBL ID | CHEMBL1689705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DORPSFBIXNNTMW-CTWPCTMYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
1.84
ALogP
7
HBA
7
HBD
217.9
PSA (Ų)
0.05
QED
2
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | EC50 | 9.62 | 9.62 | 0.2 | 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 | = | 0.238 | nM | 9.62 | 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