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Compound Detail

CHEMBL4596877

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CC[n+]1c2c(n(C(C)C)c1C)C(=O)c1ccccc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596877
Phase Preclinical
Structure Type MOL
InChI Key SBJAWCIVSSQRHL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
2.46
ALogP
3
HBA
0
HBD
43.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N2O2+
MW 283.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.22

Data from ChEMBL 36 via Core Engine