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Compound Detail

CHEMBL4803106

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COc1ccc2cc3[n+](cc2c1OCc1cccc([N+](=O)[O-])c1)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803106
Phase Preclinical
Structure Type MOL
InChI Key QEACKGYEVKFPKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
4.57
ALogP
6
HBA
0
HBD
83.9
PSA (Ų)
0.25
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21N2O6+
MW 457.46
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness 0.38

Data from ChEMBL 36 via Core Engine