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Compound Detail

CHEMBL5917563

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C=CC(=O)N1CCC(Nc2cnc3[nH]cc(-c4cncc(C#N)c4)c3n2)CC1

Basic Information

ChEMBL ID CHEMBL5917563
Phase Preclinical
Structure Type MOL
InChI Key LURFAQLLQNRZDQ-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
2.48
ALogP
6
HBA
2
HBD
110.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N7O
MW 373.42
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.14

Activity Summary

IC50 6 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK3
CHEMBL2148
IC50 10.0 8.5317 0.1 6

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine