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Compound Detail

CHEMBL1762605

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CCCNC(=S)N/N=C1\C(=O)Nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1762605
Phase Preclinical
Structure Type MOL
InChI Key YYUDTTWFQOUTKW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

262.3
MW (Da)
1.22
ALogP
3
HBA
3
HBD
65.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N4OS
MW 262.34
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
21356589 10.1016/j.bmcl.2011.02.037 Human alphaherpesvirus 1 1
21356589 10.1016/j.bmcl.2011.02.037 Human alphaherpesvirus 2 1
21356589 10.1016/j.bmcl.2011.02.037 RD 1

Data from ChEMBL 36 via Core Engine