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Compound Detail

CHEMBL283269

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O=C1C(Cc2ccccc2)C(=O)N(CC2CC2)C2SC=CN12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL283269
Phase Preclinical
Structure Type MOL
InChI Key IIGOSFLBSHEZIX-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
2.43
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O2S
MW 314.41
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.08

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
6090665 10.1021/jm00376a027 Adenosine receptor A1 1
6090665 10.1021/jm00376a027 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine