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Compound Detail

CHEMBL608959

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Nc1nc(NCCc2cccc(O)c2)c2ncn(C3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608959
Phase Preclinical
Structure Type MOL
InChI Key ALGGLLBFYHOBNJ-IKYDMHQPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.4
MW (Da)
-0.62
ALogP
11
HBA
6
HBD
171.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N6O5
MW 402.41
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.58

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11063610 10.1021/jm000287a Phosphoglycerate kinase 1

Data from ChEMBL 36 via Core Engine