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Compound Detail

CHEMBL611855

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OC[C@H]1OC(n2c(SCc3ccccc3)nc3cc4cc(Cl)c(Cl)cc4nc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL611855
Phase Preclinical
Structure Type MOL
InChI Key IMMGXAJSQJNHFV-OCQFDOBUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

492.4
MW (Da)
3.80
ALogP
8
HBA
3
HBD
100.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19Cl2N3O4S
MW 492.38
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
10882370 10.1021/jm990290y HFF 2
10882370 10.1021/jm990290y Human alphaherpesvirus 1 1
10882370 10.1021/jm990290y ADMET 1

Data from ChEMBL 36 via Core Engine