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Compound Detail

CHEMBL1621655

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COc1ccc(OCc2n(CC(=O)OC3CC(C)CCC3C(C)C)c3ccccc3[n+]2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1621655
Phase Preclinical
Structure Type MOL
InChI Key YBINXMKLOILQMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.6
MW (Da)
5.06
ALogP
5
HBA
0
HBD
53.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H37N2O4+
MW 465.61
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness 0.04

Data from ChEMBL 36 via Core Engine