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Compound Detail

CHEMBL473621

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O=C(O)c1ccc(CSc2nc3ccccc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473621
Phase Preclinical
Structure Type MOL
InChI Key HSDSEYKDYSEFBN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
3.55
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.72
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 C15H12N2O2S
MW 284.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
19282190 10.1016/j.bmc.2009.02.046 Unchecked 1

Data from ChEMBL 36 via Core Engine