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Compound Detail

CHEMBL1180691

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C[N+](C)(CCCCCCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180691
Phase Preclinical
Structure Type MOL
InChI Key WLPSRRRABARGGS-UHFFFAOYSA-P
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.7
MW (Da)
5.48
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.16
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H46N2O4+2
MW 474.69
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 0.32

Data from ChEMBL 36 via Core Engine