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Compound Detail

CHEMBL3425864

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c1cc2c(cc1-c1cnc3c(N4CCOCC4)snc3c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3425864
Phase Preclinical
Structure Type MOL
InChI Key ICWSTYWMTRIVLV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.92
ALogP
7
HBA
0
HBD
56.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N3O3S
MW 341.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.07

Literature References

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

Data from ChEMBL 36 via Core Engine