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Compound Detail

CHEMBL5940322

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O=C(Nc1nc2cccc(-c3ccc(OCc4ccccc4)nc3)n2n1)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5940322
Phase Preclinical
Structure Type MOL
InChI Key QEXFXWKLBSEQOK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
3.72
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N5O2
MW 385.43
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.84

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK3
CHEMBL2148
 IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK3 IC50 = 550.0 nM 6.26 JAK3 Inhibition Assay: Recombinant human JAK3 catalytic domain (amino acids 781-... -

Data from ChEMBL 36 via Core Engine