Compound Detail
CHEMBL5828383
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COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2n1
Basic Information
| ChEMBL ID | CHEMBL5828383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMUQJCPGIYPRKF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
618.8
MW (Da)
4.85
ALogP
10
HBA
3
HBD
118.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ALK tyrosine kinase receptor | IC50 | = | 55.0 | nM | 7.26 | Inhibitory Activity Assay: The in-vitro kinase assay was performed using the HTR... | - |
Data from ChEMBL 36 via Core Engine