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Compound Detail

CHEMBL4300806

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CC(=N)Nc1ccc(-c2ccc(-c3ccccc3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300806
Phase Preclinical
Structure Type MOL
InChI Key PSMLJIRGHGGYSZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
5.02
ALogP
2
HBA
2
HBD
49.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N2O
MW 276.34
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -0.43

Data from ChEMBL 36 via Core Engine