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Compound Detail

CHEMBL108050

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CC1COCC(C)N1CC(O)(C(=O)OC1CN2CCC1CC2)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108050
Phase Preclinical
Structure Type MOL
InChI Key XELUFZLQXWRCLB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
1.62
ALogP
6
HBA
1
HBD
62.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H32N2O4
MW 388.51
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.34

Data from ChEMBL 36 via Core Engine