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Compound Detail

CHEMBL4170671

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COc1ccc(NC(=O)CSC(=S)N/N=C/c2ccc(Br)cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4170671
Phase Preclinical
Structure Type MOL
InChI Key VVPSAZJOJQJIOU-DJKKODMXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.4
MW (Da)
3.43
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15BrN4O2S2
MW 439.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.90

Literature References

PubMed DOI Target Context # Activities
29259741 10.1021/acsmedchemlett.7b00313 Cystathionine gamma-lyase 1

Data from ChEMBL 36 via Core Engine