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Compound Detail

CHEMBL5095723

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COc1ccc(OCCN2[C@H](C)CCC[C@@H]2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095723
Phase Preclinical
Structure Type MOL
InChI Key MTJUUXXNSQPRLI-OKILXGFUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

263.4
MW (Da)
3.34
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H25NO2
MW 263.38
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.74

Data from ChEMBL 36 via Core Engine