Rec 15/3079
| SMILES | COc1ccccc1N1CCN(CC1)CCN(c1ccccc1[N+](=O)[O-])C(=O)C1CCCCC1 |
| InChIKey | HVMKWKIPLGPYAR-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 466.3 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y12 | P2Y12 | Human | P2Y | A | pKi | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
| P2Y1 | P2RY1 | Human | P2Y | A | pKd | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y12 | P2Y12 | Human | P2Y | A | pIC50 | 7.5 | 8.55 | 9.6 | Guide to Pharmacology |
| P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 9.0 | 9.0 | 9.0 | Guide to Pharmacology |
| P2Y1 | P2RY1 | Human | P2Y | A | pIC50 | 5.4 | 6.2 | 7.0 | Guide to Pharmacology |
| P2Y1 | P2RY1 | Rat | P2Y | A | pEC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
| P2Y1 | P2RY1 | Human | P2Y | A | pEC50 | 4.76 | 7.52 | 8.9 | ChEMBL |
| P2Y1 | P2RY1 | Human | P2Y | A | pIC50 | 6.44 | 7.09 | 7.66 | ChEMBL |