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Compound Detail

CHEMBL3614091

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COC(=O)[C@@H]1[C@@H]2CCC[C@H]1N(CCc1ccccc1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3614091
Phase Preclinical
Structure Type MOL
InChI Key MJRYGUXCXVQUDH-BRWVUGGUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

287.4
MW (Da)
2.89
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H25NO2
MW 287.40
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine