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Compound Detail

CHEMBL1178765

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O=C(c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1)C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178765
Phase Preclinical
Structure Type MOL
InChI Key MSELWOCJPJLDIU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
5.62
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.59
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 C25H31NO2
MW 377.53
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine