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Compound Detail

CHEMBL1178040

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CCCN(CCC)CCc1ccc(OCCc2ccccc2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178040
Phase Preclinical
Structure Type MOL
InChI Key NDQMIVFSBKTDEN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
4.98
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33NO2
MW 355.52
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.60

Data from ChEMBL 36 via Core Engine