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Compound Detail

CHEMBL6055483

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C=CC(=O)N1CCC(Nc2cnc3[nH]cc(C(=O)NC45CC(C4)C5)c3n2)CC1

Basic Information

ChEMBL ID CHEMBL6055483
Phase Preclinical
Structure Type MOL
InChI Key ONPWRFOUYRKPCT-UHFFFAOYSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
1.83
ALogP
5
HBA
3
HBD
103.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N6O2
MW 380.45
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.06

Activity Summary

IC50 4 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase JAK3
CHEMBL2148
IC50 9.4 8.84 0.4 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine