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Compound Detail

CHEMBL4641433

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CC(=O)Nc1cc(N(C)C2CCCCC2)ncn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4641433
Phase Preclinical
Structure Type MOL
InChI Key RPKODPVUKSRWBO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.20
ALogP
4
HBA
1
HBD
58.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H20N4O
MW 248.33
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
32511913 10.1021/acs.jmedchem.0c00450 Tyrosine-protein kinase JAK3 1
32511913 10.1021/acs.jmedchem.0c00450 Tyrosine-protein kinase Lck 1

Data from ChEMBL 36 via Core Engine