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Compound Detail

CHEMBL1180099

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CC[n+]1ccccc1CN(C(C)=O)C(=O)OCCOCCOC(=O)NCCCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180099
Phase Preclinical
Structure Type MOL
InChI Key BQFWECUTXCRNIS-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

472.6
MW (Da)
2.85
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H34N3O6+
MW 472.56
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -0.55

Data from ChEMBL 36 via Core Engine