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Compound Detail

CHEMBL2153544

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COc1ccc(Nc2ncnc3c2sc2nccnc23)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2153544
Phase Preclinical
Structure Type MOL
InChI Key NFEZJKXNMBXBON-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
3.40
ALogP
8
HBA
1
HBD
82.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13N5O2S
MW 339.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
23124214 10.1016/j.ejmech.2012.10.006 Cyclin-dependent kinase 5/CDK5 activator 1 1
23124214 10.1016/j.ejmech.2012.10.006 Glycogen synthase kinase-3 1
23124214 10.1016/j.ejmech.2012.10.006 Unchecked 1
23124214 10.1016/j.ejmech.2012.10.006 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1
23124214 10.1016/j.ejmech.2012.10.006 Dual specificity protein kinase CLK1 1

Data from ChEMBL 36 via Core Engine