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Compound Detail

CHEMBL4595324

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CCCCn1c2c([n+](CCCC)c1C)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595324
Phase Preclinical
Structure Type MOL
InChI Key QDODIYVBBCOVHV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
3.46
ALogP
3
HBA
0
HBD
43.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N2O2+
MW 325.43
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.11

Data from ChEMBL 36 via Core Engine