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Compound Detail

CHEMBL1180478

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CCCCCCCCCCCCCCCNOC(=O)CC1COC(COC(=O)N(Cc2cccc[n+]2CC)C(C)=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180478
Phase Preclinical
Structure Type MOL
InChI Key VTQHHPDGEJPTHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

592.8
MW (Da)
5.75
ALogP
8
HBA
1
HBD
107.3
PSA (Ų)
0.10
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 C32H54N3O7+
MW 592.80
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness 0.13

Data from ChEMBL 36 via Core Engine