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Compound Detail

CHEMBL1762451

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O=C1Nc2ccccc2/C1=N/NC(=S)Nc1ccc(N2CCOCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1762451
Phase Preclinical
Structure Type MOL
InChI Key NLXRHVISMAEFPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
2.17
ALogP
5
HBA
3
HBD
78.0
PSA (Ų)
0.56
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 C19H19N5O2S
MW 381.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.89

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