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Compound Detail

CHEMBL1762460

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CCN1C(=O)/C(=N\NC(=S)Nc2ccccc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1762460
Phase Preclinical
Structure Type MOL
InChI Key QKUIXBYPXKTRTE-CYVLTUHYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
2.74
ALogP
3
HBA
2
HBD
56.7
PSA (Ų)
0.67
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 C17H16N4OS
MW 324.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.95

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