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Compound Detail

CHEMBL2435538

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O=C(C(=O)c1cn(Cc2ccccc2)c2ccccc12)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2435538
Phase Preclinical
Structure Type MOL
InChI Key QOBRGTDQFMFYEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
4.82
ALogP
4
HBA
0
HBD
39.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15NO2S
MW 345.42
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
24077183 10.1016/j.ejmech.2013.09.001 Adenosine receptor A2a 2
24077183 10.1016/j.ejmech.2013.09.001 Adenosine receptor A1 2
24077183 10.1016/j.ejmech.2013.09.001 CHO 1
24077183 10.1016/j.ejmech.2013.09.001 Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine