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Compound Detail

CHEMBL450920

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CC(C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)NC(=N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL450920
Phase Preclinical
Structure Type MOL
InChI Key NNSUHCJCHFSDOX-YMSFOUKASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
-2.27
ALogP
5
HBA
6
HBD
131.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H19N3O4
MW 233.27
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 1.40

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