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Compound Detail

CHEMBL1180084

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

Basic Information

ChEMBL ID CHEMBL1180084
Phase Preclinical
Structure Type MOL
InChI Key UGNVEHJQFRQIIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

503.8
MW (Da)
8.52
ALogP
3
HBA
0
HBD
50.5
PSA (Ų)
0.12
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H55N2O3+
MW 503.79
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine