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Compound Detail

CHEMBL1618300

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CCc1n(CC(O)COC2CCCCC2)c2ccccc2[n+]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1618300
Phase Preclinical
Structure Type MOL
InChI Key FKMIXUABQHLYIZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.74
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H29N2O2+
MW 317.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.23

Data from ChEMBL 36 via Core Engine