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Compound Detail

CHEMBL136617

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COC(=O)c1c(C)sc2c(O)cc(C(=O)Nn3cnnn3)nc12

Basic Information

ChEMBL ID CHEMBL136617
Phase Preclinical
Structure Type MOL
InChI Key KWZZQZGQOBABNS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.3
MW (Da)
0.47
ALogP
10
HBA
2
HBD
132.1
PSA (Ų)
0.66
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 C12H10N6O4S
MW 334.32
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tumor necrosis factor receptor superfamily member 16
CHEMBL4762
IC50 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
7473570 10.1021/jm00022a008 Tumor necrosis factor receptor superfamily member 16 1

Data from ChEMBL 36 via Core Engine