Compound Detail
CHEMBL5851560
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CCOc1nn(C)cc1Nc1cnc(C)c(-c2c[nH]c3c(NC(=O)[C@@H](COC)N4CCN(C)CC4)cccc23)n1
Basic Information
| ChEMBL ID | CHEMBL5851560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBBYFCSBODLGRP-HSZRJFAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
547.7
MW (Da)
3.01
ALogP
10
HBA
3
HBD
125.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase JAK2 | IC50 | = | 2040.0 | nM | 5.69 | JAK Enzymatic Assay: Enzyme inhibition studies were performed using recombinant ... | - |
Data from ChEMBL 36 via Core Engine