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Compound Detail

CHEMBL5911050

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CCCCNc1ncc2c(-c3ccc(CNC)cc3)nc([C@H]3CC[C@@H](O)CC3)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5911050
Phase Preclinical
Structure Type MOL
InChI Key MLHFPKURZKADEF-KDURUIRLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.6
MW (Da)
3.74
ALogP
7
HBA
3
HBD
87.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H32N6O
MW 408.55
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
 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 Mer IC50 = 300.0 nM 6.52 TAM Enzymatic Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM... -

Data from ChEMBL 36 via Core Engine