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Compound Detail

CHEMBL2017795

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COc1ccc(C2NC(=O)C(C#N)=C(SCc3ccccc3)S2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2017795
Phase Preclinical
Structure Type MOL
InChI Key CLBRZAWDEXTRNF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
4.23
ALogP
5
HBA
1
HBD
62.1
PSA (Ų)
0.86
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 C19H16N2O2S2
MW 368.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
22125663 10.1021/ml200131j Galactokinase 1

Data from ChEMBL 36 via Core Engine