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Compound Detail

CHEMBL4290625

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C=CC(=O)N[C@H]1CCN(c2ccc(C(N)=O)c(NC3CCCCC3)n2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4290625
Phase Preclinical
Structure Type MOL
InChI Key KVMKVVKCTSLERB-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.5
MW (Da)
1.81
ALogP
5
HBA
3
HBD
100.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H27N5O2
MW 357.46
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
30290988 10.1016/j.bmcl.2018.09.033 Tyrosine-protein kinase BTK 1

Data from ChEMBL 36 via Core Engine