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Compound Detail

CHEMBL4159938

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Nc1cnsc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4159938
Phase Preclinical
Structure Type MOL
InChI Key DGEAOVLDSWDPHZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

176.2
MW (Da)
2.39
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8N2S
MW 176.24
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -0.88

Literature References

PubMed DOI Target Context # Activities
29795752 10.1021/acsmedchemlett.7b00427 Tryptophan 2,3-dioxygenase 2
29795752 10.1021/acsmedchemlett.7b00427 SW48 1
29795752 10.1021/acsmedchemlett.7b00427 A 172 1

Data from ChEMBL 36 via Core Engine