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Compound Detail

CHEMBL4632930

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CN(c1ccnc2ccccc12)C1CCCCC1.Cl

Basic Information

ChEMBL ID CHEMBL4632930
Phase Preclinical
Structure Type MOL
InChI Key ZBHYZISMNMUPNY-UHFFFAOYSA-N
Parent Compound CHEMBL4650543
Active Moiety CHEMBL4650543
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
4.00
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21ClN2
MW 276.81
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.01

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