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Compound Detail

CHEMBL64774

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O=c1[nH]c(=O)n([C@@H]2CO[C@@H](CO)O2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64774
Phase Preclinical
Structure Type MOL
InChI Key DCPCHBMAICQGGJ-NTSWFWBYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.6
MW (Da)
-0.95
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H9ClN2O5
MW 248.62
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.35

Literature References

PubMed DOI Target Context # Activities
1597854 10.1021/jm00089a007 ADMET 2
1597854 10.1021/jm00089a007 Vero 1

Data from ChEMBL 36 via Core Engine