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Compound Detail

CHEMBL1402203

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COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)c([N+](=O)[O-])cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1402203
Phase Preclinical
Structure Type MOL
InChI Key CNGKTZCNXQMODT-RQZCQDPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
4.31
ALogP
6
HBA
1
HBD
114.5
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17N3O5
MW 403.39
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.20

Data from ChEMBL 36 via Core Engine