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Compound Detail

CHEMBL5029097

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CCOC(=O)c1cc(C)c(C(=O)OCCCCCCCCCCCCCC[n+]2ccc(/C=C/c3cc4c5c(c3O)CCCN5CCC4)cc2)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5029097
Phase Preclinical
Structure Type MOL
InChI Key ZHUWDBKTPJYJDF-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

712.0
MW (Da)
9.28
ALogP
7
HBA
2
HBD
100.2
PSA (Ų)
0.07
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H59N2O6+
MW 711.96
Aromatic Rings 3
Heavy Atoms 52
NP-Likeness 0.01

Data from ChEMBL 36 via Core Engine