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Compound Detail

CHEMBL64326

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O=c1[nH]c(=O)n([C@@H]2CO[C@@H](CO)O2)cc1I
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64326
Phase Preclinical
Structure Type MOL
InChI Key GFRQBEMRUYIKAQ-NTSWFWBYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.1
MW (Da)
-1.00
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.67
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 C8H9IN2O5
MW 340.07
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.41

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