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Compound Detail

CHEMBL1464715

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CSC1=C(C#N)C(=O)NC(c2ccccc2O)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1464715
Phase Preclinical
Structure Type MOL
InChI Key BMYPWEVZWIEMRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
2.35
ALogP
5
HBA
2
HBD
73.1
PSA (Ų)
0.87
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 C12H10N2O2S2
MW 278.36
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
21903402 10.1016/j.bmc.2011.08.012 Unchecked 1
21903402 10.1016/j.bmc.2011.08.012 Galactokinase 1
22125663 10.1021/ml200131j Galactokinase 1

Data from ChEMBL 36 via Core Engine