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Compound Detail

CHEMBL2094071

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OC[C@@H]1O[C@@H](n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O

Basic Information

ChEMBL ID CHEMBL2094071
Phase Preclinical
Structure Type MOL
InChI Key YOORTXPERLXXLC-REWJHTLYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

374.2
MW (Da)
1.53
ALogP
7
HBA
4
HBD
99.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17Cl2N3O4
MW 374.22
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.08

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9575044 10.1021/jm970545c Human betaherpesvirus 5 3
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