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Compound Detail

CHEMBL1182542

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COc1cc2cc[n+](C)c(CCCc3c4c(OC)c(OC)c(OC)cc4cc[n+]3C)c2c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182542
Phase Preclinical
Structure Type MOL
InChI Key WYNWKTNOQRIKBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
3.87
ALogP
6
HBA
0
HBD
63.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36N2O6+2
MW 508.62
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness 0.58

Data from ChEMBL 36 via Core Engine