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Compound Detail

CHEMBL4643597

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CN(C1CCCCC1)C1CNC(=O)C1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4643597
Phase Preclinical
Structure Type MOL
InChI Key KJRVISQPTMQCIV-UHFFFAOYSA-N
Parent Compound CHEMBL4650780
Active Moiety CHEMBL4650780
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

196.3
MW (Da)
1.14
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.72
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 C11H21ClN2O
MW 232.75
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -0.20

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