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Compound Detail

CHEMBL1788357

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Nc1nc(N)c2nc[nH]c2n1.O=S(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1788357
Phase Preclinical
Structure Type MOL
InChI Key KYYLASPNTMEZTB-UHFFFAOYSA-N
Parent Compound CHEMBL388596
Active Moiety CHEMBL388596
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

150.2
MW (Da)
-0.48
ALogP
5
HBA
3
HBD
106.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H8N6O4S
MW 248.22
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -0.40

Activity Summary

IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
2165159 10.1021/jm00170a005 Phosphatidylinositol 4-kinase, PI4K 2

Data from ChEMBL 36 via Core Engine