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Compound Detail

CHEMBL2093925

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CNc1nc2cc(Cl)c(Cl)cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2093925
Phase Preclinical
Structure Type MOL
InChI Key SFLGJJQWNDRLPB-DDHJBXDOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

348.2
MW (Da)
1.00
ALogP
7
HBA
4
HBD
99.8
PSA (Ų)
0.66
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 C13H15Cl2N3O4
MW 348.19
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.31

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