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Compound Detail

CHEMBL1178298

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O=C(O)CC[n+]1ccc(/C=C/c2cccc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178298
Phase Preclinical
Structure Type MOL
InChI Key SBFLCZYTDOLDRX-CMDGGOBGSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.77
ALogP
1
HBA
1
HBD
41.2
PSA (Ų)
0.73
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 C20H18NO2+
MW 304.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.03

Data from ChEMBL 36 via Core Engine