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Compound Detail

CHEMBL1914593

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CCOC(=O)c1sc2c(Br)csc2c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1914593
Phase Preclinical
Structure Type MOL
InChI Key STARULUFHBXCOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.2
MW (Da)
4.21
ALogP
4
HBA
0
HBD
26.3
PSA (Ų)
0.78
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 C10H9BrO2S2
MW 305.22
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
21950657 10.1021/jm200999f G-protein coupled receptor 35 7

Data from ChEMBL 36 via Core Engine