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Compound Detail

CHEMBL223230

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O=C(Nc1nccs1)c1c(O)c2cc(Cl)ccc2oc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL223230
Phase Preclinical
Structure Type MOL
InChI Key FZNVVFXYKYPFSL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

322.7
MW (Da)
2.86
ALogP
6
HBA
2
HBD
92.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H7ClN2O4S
MW 322.73
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 4.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.25 4.25 56000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 56000.0 nM 4.25 Inhibition of insulin release from rat INS-1E cells 17425298

Literature References

PubMed DOI Target Context # Activities
17425298 10.1021/jm061440p Sulfonylurea receptor 1, Kir6.2 2
17425298 10.1021/jm061440p Unchecked 1

Data from ChEMBL 36 via Core Engine