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Compound Detail

CHEMBL1803075

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CCCNC1=N/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)N1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1803075
Phase Preclinical
Structure Type MOL
InChI Key LOZCTJFVVWWJQE-WQLSENKSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
1.88
ALogP
6
HBA
1
HBD
72.4
PSA (Ų)
0.80
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 C17H23N3O4
MW 333.39
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
21615147 10.1021/jm200274d Dual specificity tyrosine-phosphorylation-regulated kinase 2 1
21615147 10.1021/jm200274d Dual specificity protein kinase CLK1 1
21615147 10.1021/jm200274d Serine/threonine-protein kinase pim-1 1
21615147 10.1021/jm200274d Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
21615147 10.1021/jm200274d Dual specificity protein kinase CLK3 1
21615147 10.1021/jm200274d Cyclin-dependent kinase 5/CDK5 activator 1 1
21615147 10.1021/jm200274d Glycogen synthase kinase-3 1
21615147 10.1021/jm200274d Unchecked 1

Data from ChEMBL 36 via Core Engine