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Compound Detail

CHEMBL1432395

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Oc1nc(-c2cccs2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1432395
Phase Preclinical
Structure Type MOL
InChI Key SVVNZCGMBNAQFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

228.3
MW (Da)
3.06
ALogP
4
HBA
1
HBD
46.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8N2OS
MW 228.28
Aromatic Rings 3
Heavy Atoms 16
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
32631506 10.1016/j.bmcl.2020.127274 Adenosine receptor A1 2
32631506 10.1016/j.bmcl.2020.127274 Adenosine receptor A2a 2
28110817 10.1016/j.bmc.2016.09.042 Unchecked 1
28579123 10.1016/j.bmcl.2017.05.064 Escherichia coli 1
28579123 10.1016/j.bmcl.2017.05.064 Unchecked 1
28579123 10.1016/j.bmcl.2017.05.064 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine