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Compound Detail

CHEMBL1501255

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O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1CCCC1

Basic Information

ChEMBL ID CHEMBL1501255
Phase Preclinical
Structure Type MOL
InChI Key UCKZPCHJPSOPON-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
3.71
ALogP
5
HBA
1
HBD
60.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O3S
MW 330.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.82

Activity Summary

EC50 4 meas. best 6.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 6.61 6.54 247.0 3
Nuclear factor NF-kappa-B complex
CHEMBL2094258
EC50 4.86 4.86 13723.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4888484 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine