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Compound Detail

CHEMBL374385

NCX-4016
🧪 Phase II
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🧪 Phase II
CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL374385
Name NCX-4016
Phase Phase II
Structure Type MOL
InChI Key IOJUJUOXKXMJNF-UHFFFAOYSA-N

Known Names

Ncx-4016 Nitroaspirin
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
2
Known Names
1
Indications

Molecular Properties

331.3
MW (Da)
2.54
ALogP
7
HBA
0
HBD
105.0
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C16H13NO7
MW 331.28
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.60

Indications

Intermittent Claudication

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
17441704 10.1021/jm061371e HT-29 1
17441704 10.1021/jm061371e SW480 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine