Compound Detail
CHEMBL1096742
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N.N.N.N.O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1096742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLTBXXMFICXFOB-GLBHFFKESA-N |
| Parent Compound | CHEMBL1199118 |
| Active Moiety | CHEMBL1199118 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
575.3
MW (Da)
0.14
ALogP
14
HBA
7
HBD
265.1
PSA (Ų)
0.19
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162 | EC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor | EC50 | = | 1.4 | nM | 8.85 | Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as indu... | 20394377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20394377 | 10.1021/jm901691y | Uracil nucleotide/cysteinyl leukotriene receptor | 1 |
Data from ChEMBL 36 via Core Engine