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Compound Detail

CHEMBL1618451

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CCOC(=O)C1(c2ccc3ccccc3c2)CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1618451
Phase Preclinical
Structure Type MOL
InChI Key BLXUIMJJGQOAOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
3.02
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO2
MW 283.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine