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Compound Detail

CHEMBL312839

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O=c1[nH]c(=O)n([C@H]2CO[C@H](CO)O2)cc1/C=C/Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL312839
Phase Preclinical
Structure Type MOL
InChI Key IPJDIPLTDHPFRM-FLPBZWPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

274.7
MW (Da)
-0.39
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.78
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 C10H11ClN2O5
MW 274.66
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.45

Literature References

PubMed DOI Target Context # Activities
10891113 10.1021/jm990543n ADMET 2
10891113 10.1021/jm990543n CCRF-CEM 2
10891113 10.1021/jm990543n Human alphaherpesvirus 3 1
10891113 10.1021/jm990543n Human gammaherpesvirus 4 1

Data from ChEMBL 36 via Core Engine