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Compound Detail

CHEMBL1180728

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CCOC1(OCC)C2c3cccc(C)c3C([n+]3ccccc32)C1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180728
Phase Preclinical
Structure Type MOL
InChI Key SMKLVXUPVDRMKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.5
MW (Da)
4.13
ALogP
2
HBA
0
HBD
22.3
PSA (Ų)
0.62
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 C22H28NO2+
MW 338.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.23

Data from ChEMBL 36 via Core Engine