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Compound Detail

CHEMBL1617840

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COc1cc(/C=C/c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1617840
Phase Preclinical
Structure Type MOL
InChI Key VDBFVDHQVWEILM-CMDGGOBGSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
3.71
ALogP
3
HBA
1
HBD
51.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N2O3+
MW 375.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine