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Compound Detail

CHEMBL4129808

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CN(C)C(=O)C(C#N)=Cc1ccc(-c2nc3cnc4c(ccn4C)c3n2C2CCCCC2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4129808
Phase Preclinical
Structure Type MOL
InChI Key RPIGHLXKDWUGDT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
4.68
ALogP
7
HBA
0
HBD
92.9
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N6O2
MW 442.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
29852068 10.1021/acs.jmedchem.8b00571 Tyrosine-protein kinase JAK3 1

Data from ChEMBL 36 via Core Engine