Compound Detail
CHEMBL4456322
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
NC(=O)c1cnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1ccc(-c2ccc(N3CCOCC3)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4456322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHROCFGPXVNJFS-BJKOFHAPSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
3.50
ALogP
8
HBA
4
HBD
131.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| EML4-ALK CHEMBL3883330 | IC50 | 6.66 | 6.375 | 220.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK | IC50 | = | 55.0 | nM | 7.26 | In Vitro Assay: Potency of candidate molecules for inhibiting syk tyrosine phosp... | - |
| EML4-ALK | IC50 | = | 220.0 | nM | 6.66 | Inhibition of recombinant FLAG-tagged EML4-ALK fusion protein (unknown origin) e... | - |
| EML4-ALK | IC50 | = | 821.0 | nM | 6.09 | Inhibition of recombinant FLAG-tagged EML4-ALK fusion protein (unknown origin) e... | - |
Data from ChEMBL 36 via Core Engine