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Compound Detail

CHEMBL377464

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COC(=O)c1cc(I)ccc1N=[N+]=[N-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL377464
Phase Preclinical
Structure Type MOL
InChI Key QAAWZVVPVQTCBN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.1
MW (Da)
3.02
ALogP
3
HBA
0
HBD
75.1
PSA (Ų)
0.28
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 C8H6IN3O2
MW 303.06
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
16854055 10.1021/jm050708u RyR1/FKBP12 1

Data from ChEMBL 36 via Core Engine