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Compound Detail

CHEMBL4468321

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COc1cc(/C(O)=C(\C#N)c2ccccn2)cc([N+](=O)[O-])c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4468321
Phase Preclinical
Structure Type MOL
InChI Key LUBLDWSVQZDRNG-UVTDQMKNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
2.65
ALogP
7
HBA
2
HBD
129.5
PSA (Ų)
0.38
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 C15H11N3O5
MW 313.27
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.94

Data from ChEMBL 36 via Core Engine