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Compound Detail

CHEMBL608969

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Cc1ccc(CNc2nc(N)c3ncn(C4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608969
Phase Preclinical
Structure Type MOL
InChI Key XAKZOYYLYXSAKX-IKYDMHQPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
-0.06
ALogP
10
HBA
5
HBD
151.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N6O4
MW 386.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 0.27

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