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Compound Detail

CHEMBL1180181

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CCCCCCCCCCCCCCCCCNC(=O)OCCOCCOC(=O)N(Cc1cccc[n+]1CC)C(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180181
Phase Preclinical
Structure Type MOL
InChI Key XBNVNALTKMMEFV-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

622.9
MW (Da)
7.70
ALogP
7
HBA
1
HBD
107.3
PSA (Ų)
0.06
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H60N3O7+
MW 622.87
Aromatic Rings 1
Heavy Atoms 44
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine