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Compound Detail

CHEMBL3409410

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CCC(N=C=S)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3409410
Phase Preclinical
Structure Type MOL
InChI Key ZGZCOMUTZVCDBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

193.3
MW (Da)
2.95
ALogP
3
HBA
1
HBD
32.6
PSA (Ų)
0.59
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 C10H11NOS
MW 193.27
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.40

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