Compound Detail
CHEMBL1094759
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N.N.N.O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1I
Basic Information
| ChEMBL ID | CHEMBL1094759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQIUJDZZLKFQQE-FCIXCQMASA-N |
| Parent Compound | CHEMBL590494 |
| Active Moiety | CHEMBL590494 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
530.1
MW (Da)
-2.01
ALogP
10
HBA
6
HBD
217.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor CHEMBL1075162 | EC50 | 6.03 | 6.03 | 945.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.73 | 5.73 | 1870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Uracil nucleotide/cysteinyl leukotriene receptor | EC50 | = | 945.0 | nM | 6.03 | Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as indu... | 20394377 |
| Unchecked | EC50 | = | 1870.0 | nM | 5.73 | Agonist activity at human GPR17 R255I mutant expressed in human 1321N1 cells ass... | 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