Compound Detail
CHEMBL2018018
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Nc1ncc(-c2ccc3cn[nH]c3c2)nc1C(=O)N[C@H]1C2CC3CC1C[C@@](O)(C3)C2
Basic Information
| ChEMBL ID | CHEMBL2018018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBXBVWCDUVCWNB-GJAFZJKDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
2.27
ALogP
6
HBA
4
HBD
129.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor TYRO3 CHEMBL5314 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| LAD2 CHEMBL4483253 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor TYRO3 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of human recombinant Sky using poly-GT as substrate and [33P]ATP afte... | 22425453 |
| LAD2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of IgE-mediated human LAD2 cell degranulation assessed as beta-hexosa... | 22425453 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22425453 | 10.1016/j.bmcl.2012.02.087 | Tyrosine-protein kinase receptor TYRO3 | 1 |
| 22425453 | 10.1016/j.bmcl.2012.02.087 | LAD2 | 1 |
Data from ChEMBL 36 via Core Engine