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Compound Detail

CHEMBL4300890

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CCC[n+]1ccc(CC2CCc3cc(OC)ccc3C2=O)c(C(C)=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300890
Phase Preclinical
Structure Type MOL
InChI Key NEDSVSDWHVAKDF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.58
ALogP
3
HBA
0
HBD
47.2
PSA (Ų)
0.59
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 C22H26NO3+
MW 352.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.52

Data from ChEMBL 36 via Core Engine