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Compound Detail

CHEMBL1946413

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COc1ccc2c(c1)S(=O)(=O)N=C(NC(C)CO)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1946413
Phase Preclinical
Structure Type MOL
InChI Key JGIURLGJYPBUNW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

285.3
MW (Da)
0.14
ALogP
6
HBA
3
HBD
100.0
PSA (Ų)
0.73
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 C11H15N3O4S
MW 285.33
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.79

Activity Summary

IC50 1 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ATP-binding cassette sub-family C member 8
CHEMBL1944490
 IC50 5.2 5.2 6310.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ATP-binding cassette sub-family C member 8 IC50 = 6310.0 nM 5.2 Activation of SUR1 in rat pancreatic islets assessed as inhibition of glucose-in... 22077416

Literature References

PubMed DOI Target Context # Activities
22077416 10.1021/jm200786z ATP-binding cassette sub-family C member 8 4
22077416 10.1021/jm200786z Molecular identity unknown 1
22077416 10.1021/jm200786z Unchecked 1

Data from ChEMBL 36 via Core Engine