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Compound Detail

CHEMBL3934210

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NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1/C=C/c1ccccc1

Basic Information

ChEMBL ID CHEMBL3934210
Phase Preclinical
Structure Type MOL
InChI Key MRDJCSRSXCUBPY-WFJXPABVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.03
ALogP
4
HBA
3
HBD
94.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N4O
MW 336.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.34

Activity Summary

IC50 1 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase SYK
CHEMBL2599
IC50 7.62 7.62 24.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27994755 10.1021/acsmedchemlett.6b00353 Tyrosine-protein kinase SYK 1
27994755 10.1021/acsmedchemlett.6b00353 Salmonella typhimurium 1
27994755 10.1021/acsmedchemlett.6b00353 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine