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Compound Detail

CHEMBL2093920

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OC[C@H]1O[C@@H](n2c(S)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2093920
Phase Preclinical
Structure Type MOL
InChI Key ZWYUQPPTOOZWEF-GWOFURMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

351.2
MW (Da)
1.24
ALogP
7
HBA
4
HBD
87.7
PSA (Ų)
0.61
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 C12H12Cl2N2O4S
MW 351.21
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
9575044 10.1021/jm970545c Human betaherpesvirus 5 2
9575044 10.1021/jm970545c Human alphaherpesvirus 1 1
9575044 10.1021/jm970545c Homo sapiens 1
9575044 10.1021/jm970545c KB 1

Data from ChEMBL 36 via Core Engine