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Compound Detail

CHEMBL4174582

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O=C(CSC(=S)N/N=C/c1ccccn1)Nc1cccc(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4174582
Phase Preclinical
Structure Type MOL
InChI Key MPHBUSZUVYKVEA-GIJQJNRQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.3
MW (Da)
3.42
ALogP
5
HBA
2
HBD
66.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13BrN4OS2
MW 409.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -2.28

Literature References

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

Data from ChEMBL 36 via Core Engine