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Compound Detail

CHEMBL3409225

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Oc1ccc(C(N=C=S)c2ccc(O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3409225
Phase Preclinical
Structure Type MOL
InChI Key FBVPHFUFTOABNP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
3.29
ALogP
4
HBA
2
HBD
52.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11NO2S
MW 257.31
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.18

Literature References

PubMed DOI Target Context # Activities
25743213 10.1016/j.ejmech.2015.02.012 Macrophage migration inhibitory factor 2

Data from ChEMBL 36 via Core Engine