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Compound Detail

CHEMBL1830715

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c1csc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830715
Phase Preclinical
Structure Type MOL
InChI Key WHBLDZJCHZAMKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
3.22
ALogP
6
HBA
2
HBD
66.5
PSA (Ų)
0.76
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 C12H11N5S2
MW 289.39
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -2.41

Literature References

PubMed DOI Target Context # Activities
21688779 10.1021/jm200290z Metabotropic glutamate receptor 4 2

Data from ChEMBL 36 via Core Engine