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Compound Detail

CHEMBL4803937

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CCCCCn1cc(-c2ccccc2OCc2ccccc2)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803937
Phase Preclinical
Structure Type MOL
InChI Key JTHMZZJZVNRCRY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
4.90
ALogP
4
HBA
1
HBD
53.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
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 -0.69

Data from ChEMBL 36 via Core Engine