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Compound Detail

CHEMBL1199650

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COc1ccccc1N1CCN(Cc2ccc(CN3CCCCCC3=O)o2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199650
Phase Preclinical
Structure Type MOL
InChI Key PSYJSPSKWQDAMM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
3.51
ALogP
5
HBA
0
HBD
49.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3O3
MW 397.52
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.21

Data from ChEMBL 36 via Core Engine