Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3360840

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3360840
Phase Preclinical
Structure Type MOL
InChI Key BYWJAVQGRJEEHH-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
1.21
ALogP
7
HBA
1
HBD
93.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N5O2S
MW 357.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.86

Activity Summary

IC50 2 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK1
CHEMBL2835
 IC50 6.51 5.715 307.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK1 IC50 = 307.0 nM 6.51 Inhibition of human recombinant JAK1 25369270
Tyrosine-protein kinase JAK1 IC50 = 11900.0 nM 4.92 Inhibition of JAK1 in human whole blood assessed as inhibition of IL-6-induced p... 25369270

Literature References

PubMed DOI Target Context # Activities
25369270 10.1021/jm501262q Tyrosine-protein kinase JAK1 2
25369270 10.1021/jm501262q Tyrosine-protein kinase JAK2 1

Data from ChEMBL 36 via Core Engine