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Compound Detail

CHEMBL5661931

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CN(C)C/C=C/C(=O)Nc1nc2cnc3[nH]ccc3c2n1C

Basic Information

ChEMBL ID CHEMBL5661931
Phase Preclinical
Structure Type MOL
InChI Key AZIPXHUPPSXXES-SNAWJCMRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
1.51
ALogP
5
HBA
2
HBD
78.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N6O
MW 298.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.73

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK3
CHEMBL2148
IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27840070 10.1016/j.chembiol.2016.10.008 Unchecked 3
27840070 10.1016/j.chembiol.2016.10.008 Tyrosine-protein kinase JAK3 1

Data from ChEMBL 36 via Core Engine