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Compound Detail

CHEMBL1189513

FURALTADONE
🧪 Phase II
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🧪 Phase II
O=C1OC(CN2CCOCC2)CN1/N=C/c1ccc([N+](=O)[O-])o1

Basic Information

ChEMBL ID CHEMBL1189513
Name FURALTADONE
Phase Phase II
Structure Type MOL
InChI Key YVQVOQKFMFRVGR-VGOFMYFVSA-N

Known Names

Altafur Furaltadona Furaltadone NSC-42388
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
4
Known Names

Molecular Properties

324.3
MW (Da)
0.67
ALogP
8
HBA
0
HBD
110.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product

Extended Properties

Molecular Formula C13H16N4O6
MW 324.29
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 9
CHEMBL4179
IC50 4.87 4.87 13500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23002419 10.1021/ml300129b Mitogen-activated protein kinase 9 3
27687671 10.1016/j.bmcl.2016.09.009 CDGSH iron-sulfur domain-containing protein 1 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
23002419 10.1021/ml300129b Mitogen-activated protein kinase 14 1
23002419 10.1021/ml300129b Mitogen-activated protein kinase 1 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
36940609 10.1016/j.bmc.2023.117239 Chikungunya virus 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine