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Compound Detail

CHEMBL4159386

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COc1cccc(-c2ccc(NC(=N)N)nc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4159386
Phase Preclinical
Structure Type MOL
InChI Key YONLJCRDIFPNDY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
2.06
ALogP
3
HBA
3
HBD
84.0
PSA (Ų)
0.57
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 C13H14N4O
MW 242.28
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
29432948 10.1016/j.ejmech.2018.01.049 PBMC 5

Data from ChEMBL 36 via Core Engine