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Compound Detail

CHEMBL1741076

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N#CC(C(=O)Nc1ccc(-c2ccccc2)cc1)=[N+]([O-])[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1741076
Phase Preclinical
Structure Type MOL
InChI Key GNIBGTUQJOFXNV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
2.26
ALogP
4
HBA
1
HBD
102.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10N3O3-
MW 280.26
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.09

Data from ChEMBL 36 via Core Engine