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Compound Detail

CHEMBL5908825

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COc1ccc(CCN2CCNCC2)cc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5908825
Phase Preclinical
Structure Type MOL
InChI Key WAFNARGLJYLMMG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

545.1
MW (Da)
4.26
ALogP
9
HBA
3
HBD
108.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33ClN6O3S
MW 545.11
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.37

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ALK tyrosine kinase receptor
CHEMBL4247
 IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ALK tyrosine kinase receptor IC50 = 1.0 nM 9.0 Inhibition of ALK WT Anaplastic Lymphoma Kinase Activity: The following experime... -

Data from ChEMBL 36 via Core Engine