| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | Salt |
| ATC: | L03AX14 |
| UNII: | 3POA0Q644U |
| Parent Compound: | HISTAMINE |
Structure
| InChI Key | PPZMYIBUHIPZOS-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11Cl2N3 |
| Molecular Weight | 184.07 |
| AlogP | -0.09 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 54.7 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 8.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| None | Immunoprotectant |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Hydrolase
|
- | - | - | - | ||
|
Enzyme
Transferase
|
- | - | - | - | 32.31 | |
|
Enzyme
|
- | - | - | - | ||
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -6.66--2.04 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Histamine receptor
|
1000-1202.26 | - | - | 12.59-218.78 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 100.71 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Melanoma | 3 | D008545 | ClinicalTrials |
| Leukemia | 3 | D007938 | ClinicalTrials |
| Kidney Neoplasms | 2 | D007680 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1533310 |
| DrugBank | DB05891 |
| EPA CompTox | DTXSID1058767 |
| FDA SRS | 3POA0Q644U |
| PubChem | 57504843 |
| SureChEMBL | SCHEMBL58710 |
CONTENTS