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Compound Detail

CHEMBL1197901

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CCCCCCn1c(=N)n(CC(O)COc2cccc(C)c2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197901
Phase Preclinical
Structure Type MOL
InChI Key WJZWXNNJEAGCKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
4.25
ALogP
5
HBA
2
HBD
63.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3O2
MW 381.52
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine