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Compound Detail

CHEMBL520842

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COc1cc(Nc2nc(N[C@H]3CCCC[C@@H]3N)n3ccnc3c2C(N)=O)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL520842
Phase Preclinical
Structure Type MOL
InChI Key DVAXQAPODFQWRX-HOTGVXAUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
2.27
ALogP
9
HBA
4
HBD
141.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N7O3
MW 425.49
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
 IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase SYK IC50 = 1200.0 nM 5.92 Inhibition of human Syk expressed in Sf9 cells 18823784

Literature References

PubMed DOI Target Context # Activities
18823784 10.1016/j.bmc.2008.09.015 Tyrosine-protein kinase SYK 1
18823784 10.1016/j.bmc.2008.09.015 Tyrosine-protein kinase ZAP-70 1

Data from ChEMBL 36 via Core Engine