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Compound Detail

CHEMBL5987031

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O=C(NCc1ccccc1)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5987031
Phase Preclinical
Structure Type MOL
InChI Key WIBSPAUSTNSGPT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
3.67
ALogP
5
HBA
2
HBD
88.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N5O2
MW 411.47
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.74

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase JAK2 IC50 = 300.0 nM 6.52 JAK2 Inhibition Assay: Recombinant human JAK2 catalytic domain (amino acids 808-... -

Data from ChEMBL 36 via Core Engine