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Compound Detail

CHEMBL3633203

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O=C1Nc2ccccc2/C1=C/c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633203
Phase Preclinical
Structure Type MOL
InChI Key QMTIIBUDOBNABZ-FLIBITNWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
3.24
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H9NOS
MW 227.29
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.28

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26428872 10.1016/j.bmcl.2015.09.048 Mus musculus 4
30902399 10.1016/j.bmc.2019.03.028 Glycogen synthase kinase-3 beta 2
30902399 10.1016/j.bmc.2019.03.028 A549 1

Data from ChEMBL 36 via Core Engine