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Compound Detail

CHEMBL3545482

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COc1cc(/C=N/Nc2nncc3ccccc23)cc(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545482
Phase Preclinical
Structure Type MOL
InChI Key JPHBYHAJIOEMNM-CAOOACKPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
2.50
ALogP
7
HBA
3
HBD
99.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4O3
MW 310.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.70

Data from ChEMBL 36 via Core Engine