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Compound Detail

CHEMBL1835580

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N#CC1=C(SCc2ccccc2)SC(c2ccc(C(=O)O)cc2)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1835580
Phase Preclinical
Structure Type MOL
InChI Key FCCKKAWYOSFLCT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
3.91
ALogP
5
HBA
2
HBD
90.2
PSA (Ų)
0.81
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 C19H14N2O3S2
MW 382.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.77

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