Compound Detail
CHEMBL5868689
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Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCCN(CC[C@H](N)OC=O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL5868689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIJXYCDFKPOFDU-ZTGXRXGFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
634.6
MW (Da)
-3.41
ALogP
19
HBA
7
HBD
285.5
PSA (Ų)
0.07
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| N-formyl peptide receptor 2 CHEMBL4227 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| N-formyl peptide receptor 2 | IC50 | = | 800.0 | nM | 6.1 | DNMT1 Inhibition Assay: The DNMT1 assays were carried to determine the IC50 with... | - |
Data from ChEMBL 36 via Core Engine