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Compound Detail

CHEMBL1316369

5-METHYLFURMETHIODIDE
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Cc1ccc(C[N+](C)(C)C)o1.[I-]

Basic Information

ChEMBL ID CHEMBL1316369
Name 5-METHYLFURMETHIODIDE
Phase Preclinical
Structure Type MOL
InChI Key IHTCZSNKQINGDD-UHFFFAOYSA-M
Parent Compound CHEMBL92387
Active Moiety CHEMBL92387
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

154.2
MW (Da)
1.79
ALogP
1
HBA
0
HBD
13.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H16INO
MW 281.14
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.32

Activity Summary

Ki 2 meas. best 4.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor DM1
CHEMBL2366467
Ki 4.91 4.87 12300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17319687 10.1021/jf0631934 Muscarinic acetylcholine receptor DM1 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 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