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Compound Detail

CHEMBL1482931

THYMOL IODIDE
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Cc1cc(OI)c(C(C)C)cc1-c1cc(C(C)C)c(OI)cc1C

Basic Information

ChEMBL ID CHEMBL1482931
Name THYMOL IODIDE
Phase Preclinical
Structure Type MOL
InChI Key SHOKWSLXDAIZPP-UHFFFAOYSA-N

Known Names

Iodothymol NSC-2222 Thymol iodide
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
3
Known Names

Molecular Properties

550.2
MW (Da)
7.67
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.36
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C20H24I2O2
MW 550.22
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.12

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.82 4.82 15108.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 15108.1 nM 4.82 PubChem BioAssay. GLP1 secretion from STC-1 cells-IC50. (Class of assay: confi... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 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