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Compound Detail

CHEMBL3305876

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CC[N+](C)(CC)CCC/C(=N/O)C(O)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3305876
Phase Preclinical
Structure Type MOL
InChI Key JDCWTWUPZWPUDT-LNVKXUELSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

355.5
MW (Da)
4.02
ALogP
3
HBA
2
HBD
52.8
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H31N2O2+
MW 355.50
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.07

Data from ChEMBL 36 via Core Engine