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Compound Detail

CHEMBL3425861

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COc1ccc(-c2cnc3c(N4CCOCC4)snc3c2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3425861
Phase Preclinical
Structure Type MOL
InChI Key GZHGQOZEQDSHPV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.21
ALogP
7
HBA
0
HBD
56.7
PSA (Ų)
0.71
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 C18H19N3O3S
MW 357.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
25822739 10.1021/jm501759m Cyclin-G-associated kinase 2

Data from ChEMBL 36 via Core Engine