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

CHEMBL5898186

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
C=CC(=O)N1C[C@H](Nc2ncnc3[nH]ccc23)CC[C@@H]1CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5898186
Phase Preclinical
Structure Type MOL
InChI Key DVFKFBAEIOVUBS-GHMZBOCLSA-N
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
0.91
ALogP
5
HBA
3
HBD
94.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N5O2
MW 301.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.41

Activity Summary

IC50 8 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK3
CHEMBL2148
 IC50 9.52 8.43 0.3 8

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK3 IC50 = 0.3 nM 9.52 JAK Caliper Enzyme Assay: Test article was solubilized in dimethyl sulfoxide (DM... -
Tyrosine-protein kinase JAK3 IC50 = 0.3 nM 9.52 JAK Caliper Enzyme Assay: Test article was solubilized in dimethyl sulfoxide (DM... -
Tyrosine-protein kinase JAK3 IC50 = 0.3 nM 9.52 Caliper Enzyme Assay (4 uM ATP): JAK Caliper Enzyme Assay at 4 μM: Test article ... -
Tyrosine-protein kinase JAK3 IC50 = 0.3 nM 9.52 Caliper Enzyme Assay (4 uM ATP): JAK Caliper Enzyme Assay at 4 μM: Test article ... -
Tyrosine-protein kinase JAK3 IC50 = 45.3 nM 7.34 JAK Caliper Enzyme Assay: Test article was solubilized in dimethyl sulfoxide (DM... -
Tyrosine-protein kinase JAK3 IC50 = 45.3 nM 7.34 JAK Caliper Enzyme Assay: Test article was solubilized in dimethyl sulfoxide (DM... -
Tyrosine-protein kinase JAK3 IC50 = 45.3 nM 7.34 Caliper Enzyme Assay (4 mM ATP): JAK Caliper Enzyme Assay at 1 mM ATP: Test arti... -
Tyrosine-protein kinase JAK3 IC50 = 45.3 nM 7.34 Caliper Enzyme Assay (4 mM ATP): JAK Caliper Enzyme Assay at 1 mM ATP: Test arti... -

Data from ChEMBL 36 via Core Engine