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Compound Detail

CHEMBL1180723

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CCOC1(OCC)C2c3c(OC(C)C)cccc3C([n+]3ccccc32)C1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180723
Phase Preclinical
Structure Type MOL
InChI Key YUVDIEMXTGCDFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
4.61
ALogP
3
HBA
0
HBD
31.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H32NO3+
MW 382.52
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine