Compound Detail
CHEMBL1097652
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N.N.N.N.Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1097652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZEZLTFBDDXDIH-YCLZTDOVSA-N |
| Parent Compound | CHEMBL1199140 |
| Active Moiety | CHEMBL1199140 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
607.3
MW (Da)
-0.23
ALogP
14
HBA
7
HBD
279.1
PSA (Ų)
0.13
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 10.6 | 10.6 | 0.0 | 1 |
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162 | EC50 | 10.44 | 10.44 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 0.0254 | nM | 10.6 | Agonist activity at human GPR17 R255I mutant expressed in human 1321N1 cells ass... | 20394377 |
| Uracil nucleotide/cysteinyl leukotriene receptor | EC50 | = | 0.036 | nM | 10.44 | 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 |
| 20394377 | 10.1021/jm901691y | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine