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Compound Detail

CHEMBL567317

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Nc1nonc1C(=S)Nc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL567317
Phase Preclinical
Structure Type MOL
InChI Key ZMSXIOUVGRMXKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

254.7
MW (Da)
2.09
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H7ClN4OS
MW 254.70
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -2.24

Literature References

PubMed DOI Target Context # Activities
19507862 10.1021/jm900518f Indoleamine 2,3-dioxygenase 1 2

Data from ChEMBL 36 via Core Engine