PBF-509 [6129]
PBF-509
| SMILES | Nc1nc(-n2cccn2)nc(-n2cccn2)c1Br |
| InChIKey | ATFXVNUWQOXRRU-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 2 |
| Log P | 1.193 |
| Molecular weight (Da) | 305.0 |
| Stereochemistry info | unspecified |
Database connections
| Model (Boltz2) | A2A |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
PBF-509
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
1
Phase II
1
Phase III
0
Phase IV
0
Database connections
| Model (Boltz2) | A2A |
Sankey plot
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Drug Information
| Target | Disease | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| Gene | Protein | Receptor family | Ligand type | Class | Name | Phase | ICD11 | ATC | Association score |