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Compound Detail

CHEMBL34717

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COC(=O)CC(CC(=O)OC)OC[n+]1ccc(N)nc1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL34717
Phase Preclinical
Structure Type MOL
InChI Key CGDYKVGMBKGFNF-UHFFFAOYSA-N
Parent Compound CHEMBL1178611
Active Moiety CHEMBL1178611
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
-0.58
ALogP
7
HBA
1
HBD
104.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18BrN3O5
MW 364.20
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.44

Literature References

PubMed DOI Target Context # Activities
2826784 10.1021/jm00396a021 Cytomegalovirus 1
2826784 10.1021/jm00396a021 Human gammaherpesvirus 4 1

Data from ChEMBL 36 via Core Engine