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Compound Detail

CHEMBL5930471

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O=C(Nc1ccccc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5930471
Phase Preclinical
Structure Type MOL
InChI Key WHZIKXLXTAPRSH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
4.00
ALogP
5
HBA
2
HBD
88.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N5O2
MW 397.44
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.76

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK1
CHEMBL2835
 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 JAK1 IC50 = 550.0 nM 6.26 JAK1 Inhibition Assay: Recombinant human JAK1 catalytic domain (amino acids 850-... -

Data from ChEMBL 36 via Core Engine