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Compound Detail

CHEMBL3545689

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Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/CNO)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3545689
Phase Preclinical
Structure Type MOL
InChI Key AXNRBGTYILEHJU-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
3.80
ALogP
3
HBA
4
HBD
60.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N3O
MW 335.45
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine