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Compound Detail

CHEMBL1224489

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CSC(=N)NCCc1ccc(Cl)cc1.I
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1224489
Phase Preclinical
Structure Type MOL
InChI Key OXWUMJORFBKOEM-UHFFFAOYSA-N
Parent Compound CHEMBL1229064
Active Moiety CHEMBL1229064
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

228.8
MW (Da)
2.77
ALogP
2
HBA
2
HBD
35.9
PSA (Ų)
0.62
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 C10H14ClIN2S
MW 356.66
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
20688518 10.1016/j.bmcl.2010.07.025 Indoleamine 2,3-dioxygenase 1 2

Data from ChEMBL 36 via Core Engine