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Compound Detail

CHEMBL1183172

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CCOC(=O)C[n+]1ccc(/C=C/c2cccc3ccccc23)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183172
Phase Preclinical
Structure Type MOL
InChI Key MJKNAWJBYJPTBL-VAWYXSNFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
4.17
ALogP
2
HBA
0
HBD
30.2
PSA (Ų)
0.52
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 C22H22NO2+
MW 332.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.33

Data from ChEMBL 36 via Core Engine