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Compound Detail

CHEMBL2219851

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CCCn1c2cc(OCc3ccccc3)ccc2c2cc[n+](Cc3ccc(F)cc3)c(C)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219851
Phase Preclinical
Structure Type MOL
InChI Key MDUJJHHXXPSDJF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.6
MW (Da)
6.57
ALogP
2
HBA
0
HBD
18.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28FN2O+
MW 439.55
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine