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Compound Detail

CHEMBL114295

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COC(=O)c1cc(C(O)CN2CCN(c3ccccc3OC)CC2)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL114295
Phase Preclinical
Structure Type MOL
InChI Key UVISADKXDPWACV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.5
MW (Da)
2.35
ALogP
7
HBA
1
HBD
71.5
PSA (Ų)
0.72
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 C22H28N2O5
MW 400.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.97

Data from ChEMBL 36 via Core Engine