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Compound Detail

CHEMBL1180747

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CCOC1(OCC)CC2c3ccccc3C1c1cccc[n+]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180747
Phase Preclinical
Structure Type MOL
InChI Key OFZBROUVEKNMTL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

296.4
MW (Da)
3.18
ALogP
2
HBA
0
HBD
22.3
PSA (Ų)
0.64
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 C19H22NO2+
MW 296.39
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.36

Data from ChEMBL 36 via Core Engine