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Compound Detail

CHEMBL1188624

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O=[N+]([O-])c1ccc(C2CN3CCC[C@H]3c3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188624
Phase Preclinical
Structure Type MOL
InChI Key NEBIUZBZGRZRHR-ZVAWYAOSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
3.88
ALogP
3
HBA
0
HBD
46.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2O2
MW 294.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.42

Data from ChEMBL 36 via Core Engine