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Compound Detail

CHEMBL1812659

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c1c[nH]c(SCCc2c[nH]c3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812659
Phase Preclinical
Structure Type MOL
InChI Key AIAWOYMIYLQRCW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
3.83
ALogP
1
HBA
2
HBD
31.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2S
MW 242.35
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
21726069 10.1021/jm2006782 Tryptophan 2,3-dioxygenase 1
21726069 10.1021/jm2006782 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine