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Compound Detail

CHEMBL4116301

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O=C(OCCCCCCCCCCCCCC[n+]1cccc2ccccc21)c1ccc(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116301
Phase Preclinical
Structure Type MOL
InChI Key QAESICXPWZPBSX-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
7.08
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.13
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 C30H40NO4+
MW 478.65
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.14

Data from ChEMBL 36 via Core Engine