| Synonyms: | |
| Status: | Phase 1 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | A10BA01 |
| UNII: | DD5K7529CE |
Structure
| InChI Key | ICFJFFQQTFMIBG-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H15N5 |
| Molecular Weight | 205.26 |
| AlogP | 0.24 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 97.78 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D2
|
- | 45400 | - | - | - | |
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | 27000 | - | - | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 17 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Melanoma | 1 | D008545 | ClinicalTrials |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 114-86-3 |
| ChEBI | 8064 |
| ChEMBL | CHEMBL170988 |
| DrugBank | DB00914 |
| DrugCentral | 2126 |
| EPA CompTox | DTXSID1023449 |
| FDA SRS | DD5K7529CE |
| Human Metabolome Database | HMDB0015050 |
| KEGG | C07673 |
| PDB | 8CV |
| PharmGKB | PA1000 |
| PubChem | 8249 |
| SureChEMBL | SCHEMBL8424 |
| ZINC | ZINC000005851063 |
CONTENTS