Synonyms: | |
Status: | Phase 2 |
Entry Type: | Small molecule |
Molecule Category: | UNKNOWN |
UNII: | 0TJ631J0KP |
InChI Key | VGEXRDWWPSGZDH-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C35H34ClN7O3S2 |
Molecular Weight | 700.29 |
AlogP | 7.8 |
Hydrogen Bond Acceptor | 10.0 |
Hydrogen Bond Donor | 4.0 |
Number of Rotational Bond | 10.0 |
Polar Surface Area | 129.6 |
Molecular species | NEUTRAL |
Aromatic Rings | 6.0 |
Heavy Atoms | 48.0 |
Primary Target | |
---|---|
mitogen-activated protein kinase 14 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Enzyme
Kinase
Protein Kinase
CMGC protein kinase group
CMGC protein kinase MAPK family
CMGC protein kinase p38 subfamily
|
- | 23 | 0 | - | - | |
Enzyme
Kinase
Protein Kinase
STE protein kinase group
STE protein kinase STE20 family
STE protein kinase MSN subfamily
|
- | 6 | - | - | - | |
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase VEGFR family
|
- | 890 | - | - | - | |
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | - | - | - | 46 |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Pulmonary Disease, Chronic Obstructive | 2 | D029424 | ClinicalTrials |
Asthma | 2 | D001249 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 1056164-52-3 |
ChEMBL | CHEMBL1938400 |
DrugBank | DB12138 |
EPA CompTox | DTXSID70147214 |
FDA SRS | 0TJ631J0KP |
Guide to Pharmacology | 8179 |
PDB | YIS |
PubChem | 11714580 |
SureChEMBL | SCHEMBL981777 |