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Compound Detail

CHEMBL2221237

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CC(=O)c1ccccc1NC(=O)c1ccc(OCCCC[n+]2cccc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2221237
Phase Preclinical
Structure Type MOL
InChI Key UUWHXLGPDZRROH-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
5.44
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N2O3+
MW 439.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine