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Compound Detail

CHEMBL5208089

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CC1CCc2c(sc(NC(=O)c3cscn3)c2C#N)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5208089
Phase Preclinical
Structure Type MOL
InChI Key TYDHZPHOQLAMKG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.45
ALogP
5
HBA
1
HBD
65.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3OS2
MW 303.41
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.64

Literature References

PubMed DOI Target Context # Activities
35476936 10.1021/acs.jmedchem.2c00004 143B 1

Data from ChEMBL 36 via Core Engine