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Compound Detail

CHEMBL4596988

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CCCCn1c2c([n+](C3CC3)c1C)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596988
Phase Preclinical
Structure Type MOL
InChI Key HLPHOEZUOQXDLD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
2.99
ALogP
3
HBA
0
HBD
43.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N2O2+
MW 309.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.17

Data from ChEMBL 36 via Core Engine