Synonyms: | |
Status: | Approved (1997) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | L01XX35 |
UNII: | K9X45X0051 |
InChI Key | OTBXOEAOVRKTNQ-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C10H7Cl2N3O |
Molecular Weight | 256.09 |
AlogP | 1.93 |
Hydrogen Bond Acceptor | 3.0 |
Hydrogen Bond Donor | 1.0 |
Number of Rotational Bond | 0.0 |
Polar Surface Area | 44.7 |
Molecular species | NEUTRAL |
Aromatic Rings | 1.0 |
Heavy Atoms | 16.0 |
Primary Target | |
---|---|
phosphodiesterase 3A |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Phosphodiesterase
Phosphodiesterase 2
Phosphodiesterase 2A
|
- | 34000-34000 | - | - | - | |
Enzyme
Phosphodiesterase
Phosphodiesterase 3
Phosphodiesterase 3A
|
- | 50-1050 | - | - | - | |
Enzyme
Phosphodiesterase
Phosphodiesterase 3
Phosphodiesterase 3B
|
- | 50-1050 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Nucleotide-like receptor (family A GPCR)
Purine receptor
|
1050 | - | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Thrombocythemia, Essential | 3 | D013920 | ClinicalTrials |
Polycythemia Vera | 3 | D011087 | ClinicalTrials |
Myeloproliferative Disorders | 2 | D009196 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 68475-42-3 |
ChEBI | 142290 |
ChEMBL | CHEMBL760 |
DrugBank | DB00261 |
DrugCentral | 209 |
FDA SRS | K9X45X0051 |
Human Metabolome Database | HMDB0014406 |
Guide to Pharmacology | 7114 |
PharmGKB | PA164742986 |
PubChem | 135409400 |
SureChEMBL | SCHEMBL9411 |
ZINC | ZINC000003871541 |