Compound Detail
CHEMBL6018691
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O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCN(Cc5ccccc5)CC4)cc3)n2n1)C1CC1
Basic Information
| ChEMBL ID | CHEMBL6018691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHBMZCLCYOMUQT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
494.6
MW (Da)
4.09
ALogP
6
HBA
1
HBD
82.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 300.0 | nM | 6.52 | JAK2 Inhibition Assay: Recombinant human JAK2 catalytic domain (amino acids 808-... | - |
Data from ChEMBL 36 via Core Engine