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Compound Detail

CHEMBL1185127

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COc1cc2cc[n+](C)c(CCCc3c4cc(OC)c(OC)cc4cc[n+]3C)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185127
Phase Preclinical
Structure Type MOL
InChI Key VGZAUPORTCLKEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
3.85
ALogP
4
HBA
0
HBD
44.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N2O4+2
MW 448.56
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness 0.44

Data from ChEMBL 36 via Core Engine