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Compound Detail

CHEMBL3409412

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S=C=NC(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3409412
Phase Preclinical
Structure Type MOL
InChI Key WDOSFTZMBFYTED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

225.3
MW (Da)
3.88
ALogP
2
HBA
0
HBD
12.4
PSA (Ų)
0.57
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 C14H11NS
MW 225.32
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.22

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