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Compound Detail

CHEMBL495460

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C[N+](C)(C)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.[I-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL495460
Phase Preclinical
Structure Type MOL
InChI Key LXFSWFNLVMUYKS-NPPHLGRCSA-M
Parent Compound CHEMBL1187045
Active Moiety CHEMBL1187045
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

206.3
MW (Da)
-1.83
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.48
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 C9H20INO4
MW 333.17
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.56

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
17582660 10.1016/j.ejmech.2007.03.027 IAG-nucleoside hydrolase 1

Data from ChEMBL 36 via Core Engine