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Compound Detail

CHEMBL1789253

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COc1ccc(C(=O)Oc2c(OC)ccc3cc4[n+](cc23)CCc2cc3c(cc2-4)OCO3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1789253
Phase Preclinical
Structure Type MOL
InChI Key OGSSGUFIQSVKPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
4.32
ALogP
6
HBA
0
HBD
67.1
PSA (Ų)
0.26
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 C27H22NO6+
MW 456.47
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness 0.81

Data from ChEMBL 36 via Core Engine