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Compound Detail

CHEMBL1224392

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Br.CC(C)(C)c1ccc(CSC(=N)N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1224392
Phase Preclinical
Structure Type MOL
InChI Key LLQPFDDNRVMQLV-UHFFFAOYSA-N
Parent Compound CHEMBL1229103
Active Moiety CHEMBL1229103
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

222.4
MW (Da)
3.11
ALogP
2
HBA
2
HBD
49.9
PSA (Ų)
0.60
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 C12H19BrN2S
MW 303.27
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.06

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