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Compound Detail

CHEMBL4279288

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NC(=O)c1ccc(NC2CCCCC2)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4279288
Phase Preclinical
Structure Type MOL
InChI Key DGZXVZSOZVPFDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

219.3
MW (Da)
1.93
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N3O
MW 219.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
30290988 10.1016/j.bmcl.2018.09.033 Tyrosine-protein kinase BTK 2

Data from ChEMBL 36 via Core Engine