Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 5D7022962A |
InChI Key | DHCOPPHTVOXDKU-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C18H21N5S |
Molecular Weight | 339.47 |
AlogP | 4.1 |
Hydrogen Bond Acceptor | 6.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 3.0 |
Polar Surface Area | 48.53 |
Molecular species | NEUTRAL |
Aromatic Rings | 3.0 |
Heavy Atoms | 24.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4A
|
- | 23 | - | - | - | |
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4B
|
- | 13 | - | - | - | |
Enzyme
Phosphodiesterase
Phosphodiesterase 4
Phosphodiesterase 4D
|
- | 13 | - | - | - | |
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Nucleotide-like receptor (family A GPCR)
Adenosine receptor
|
- | 1300-5200 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Asthma | 2 | D001249 | ClinicalTrials |
Pulmonary Disease, Chronic Obstructive | 2 | D029424 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 185954-27-2 |
ChEMBL | CHEMBL217899 |
DrugBank | DB11681 |
FDA SRS | 5D7022962A |
PubChem | 9896267 |
SureChEMBL | SCHEMBL230762 |
ZINC | ZINC000000021914 |