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Compound Detail

CHEMBL4301552

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Cc1cc(OCCCCCCCCCCCCC[n+]2cccc3ccccc32)ccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301552
Phase Preclinical
Structure Type MOL
InChI Key YPMVBTZGUGHDEZ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
7.50
ALogP
2
HBA
1
HBD
50.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40NO3+
MW 462.65
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.27

Data from ChEMBL 36 via Core Engine