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Compound Detail

CHEMBL1558844

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COc1ccc(OCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1558844
Phase Preclinical
Structure Type MOL
InChI Key ZUOLBPSADLTMNT-VMPITWQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
2.93
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N2O3
MW 366.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.00

Data from ChEMBL 36 via Core Engine