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Compound Detail

CHEMBL2207392

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O[C@H]1[C@@H](O)CN[C@@H]1CNCn1ccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2207392
Phase Preclinical
Structure Type MOL
InChI Key AXLGCGSOTAFBLX-HRDYMLBCSA-N
0
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
-1.88
ALogP
6
HBA
4
HBD
82.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H16N4O2
MW 212.25
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.30

Activity Summary

IC50 2 meas.
Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
23151473 10.1016/j.bmc.2012.10.011 Unchecked 4
23151473 10.1016/j.bmc.2012.10.011 Alpha-mannosidase 2 1
23151473 10.1016/j.bmc.2012.10.011 Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase 1

Data from ChEMBL 36 via Core Engine