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Compound Detail

CHEMBL1189696

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O=C1c2ccccc2CCC1C1CCN(CCc2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1189696
Phase Preclinical
Structure Type MOL
InChI Key XHSVWFYHHXOZHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

333.5
MW (Da)
4.39
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27NO
MW 333.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine