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Compound Detail

CHEMBL1618638

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C[N+]1(CC2COC3(CCCCC3)O2)CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1618638
Phase Preclinical
Structure Type MOL
InChI Key IPUSAPLAJPYDRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

254.4
MW (Da)
2.69
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H28NO2+
MW 254.39
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 0.53

Data from ChEMBL 36 via Core Engine