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Compound Detail

CHEMBL2219850

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Cc1c2c(cc[n+]1Cc1ccccc1F)c1ccc(OCC3CCCCC3)cc1n2CC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219850
Phase Preclinical
Structure Type MOL
InChI Key SBERSNWSCHCGDW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

499.7
MW (Da)
8.12
ALogP
2
HBA
0
HBD
18.0
PSA (Ų)
0.23
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 C33H40FN2O+
MW 499.69
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.50

Data from ChEMBL 36 via Core Engine