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Compound Detail

CHEMBL4117576

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

Basic Information

ChEMBL ID CHEMBL4117576
Phase Preclinical
Structure Type MOL
InChI Key FWGKTNMVLYHANK-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
6.30
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.17
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H36NO4+
MW 450.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.15

Data from ChEMBL 36 via Core Engine