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Compound Detail

CHEMBL3127769

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COc1cc2ncnc(Nc3ccc(C(C)=O)cc3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3127769
Phase Preclinical
Structure Type MOL
InChI Key FHODFBPGUBHIJG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.59
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O3
MW 323.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
24530227 10.1016/j.bmc.2014.01.044 Dual specificity protein kinase CLK1 1
24530227 10.1016/j.bmc.2014.01.044 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
24530227 10.1016/j.bmc.2014.01.044 Unchecked 1
24530227 10.1016/j.bmc.2014.01.044 Glycogen synthase kinase-3 1
24530227 10.1016/j.bmc.2014.01.044 Cyclin-dependent kinase 5/CDK5 activator 1 1

Data from ChEMBL 36 via Core Engine