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Compound Detail

CHEMBL1192477

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CC(CC#N)NCC(O)COc1ccc(CCOCC2CCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1192477
Phase Preclinical
Structure Type MOL
InChI Key GQBZOBXTYCGAGK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
2.68
ALogP
5
HBA
2
HBD
74.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2O3
MW 346.47
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.77

Data from ChEMBL 36 via Core Engine