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Compound Detail

CHEMBL3764232

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COc1cc2ncnc(-n3nc(-c4ccccn4)nc3N)c2cc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764232
Phase Preclinical
Structure Type MOL
InChI Key ZVYPUMKJRINKBC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

334.3
MW (Da)
1.45
ALogP
9
HBA
2
HBD
130.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N8O
MW 334.34
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
26632965 10.1021/acs.jmedchem.5b01092 BJ 1
26632965 10.1021/acs.jmedchem.5b01092 No relevant target 1
26632965 10.1021/acs.jmedchem.5b01092 Serine-protein kinase ATM 1

Data from ChEMBL 36 via Core Engine