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Compound Detail

CHEMBL1234104

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O=c1[nH]c(=O)c2nccnc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1234104
Phase Preclinical
Structure Type MOL
InChI Key UYEUUXMDVNYCAM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

164.1
MW (Da)
-0.99
ALogP
4
HBA
2
HBD
91.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H4N4O2
MW 164.12
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -0.68

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C3MD00149K NON-PROTEIN TARGET 4
- 10.1039/C3MD00149K No relevant target 1
28129991 10.1016/j.bmc.2017.01.012 PI3-kinase p110-alpha/p85-alpha 1
28129991 10.1016/j.bmc.2017.01.012 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine