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Compound Detail

CHEMBL5499847

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CC[N+](CC)(CC)CCOc1ccc(-c2nc3ccccc3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499847
Phase Preclinical
Structure Type MOL
InChI Key QXSDJIUFDXYCFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.5
MW (Da)
4.49
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H28N3O+
MW 338.48
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine