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Compound Detail

CHEMBL4117466

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COc1cc2c(cc1OC)C(=O)C(Cc1cc[n+](Cc3ccccc3C)cc1C(N)=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117466
Phase Preclinical
Structure Type MOL
InChI Key OOYNHOMEWFKIFQ-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.04
ALogP
4
HBA
1
HBD
82.5
PSA (Ų)
0.58
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 C26H27N2O4+
MW 431.51
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.23

Data from ChEMBL 36 via Core Engine