suramin
| SMILES | O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | FIAFUQMPZJWCLV-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 17 |
| Hydrogen bond donors | 12 |
| Rotatable bonds | 16 |
| Molecular weight (Da) | 1296.0 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Ligand site mutations | P2Y12 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y1 | P2RY1 | Human | P2Y | A | pKi | 5.3 | 5.3 | 5.3 | Guide to Pharmacology |
| P2Y11 | P2Y11 | Human | P2Y | A | pKi | 6.52 | 6.73 | 6.95 | ChEMBL |
| P2Y1 | P2RY1 | Human | P2Y | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y2 | P2RY2 | Human | P2Y | A | pIC50 | 4.3 | 4.3 | 4.3 | Guide to Pharmacology |
| P2Y6 | P2RY6 | Human | P2Y | A | pKB | 4.0 | 4.0 | 4.0 | Guide to Pharmacology |
| P2Y11 | P2Y11 | Human | P2Y | A | pIC50 | 4.8 | 5.4 | 6.0 | Guide to Pharmacology |
| P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 5.64 | 5.64 | 5.64 | ChEMBL |
| P2Y12 | P2Y12 | Rat | P2Y | A | pEC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
| P2Y11 | P2Y11 | Human | P2Y | A | pEC50 | 4.8 | 4.8 | 4.8 | ChEMBL |
| P2Y6 | P2RY6 | Human | P2Y | A | pIC50 | 4.57 | 4.57 | 4.57 | ChEMBL |
| P2Y2 | P2RY2 | Human | P2Y | A | pEC50 | 4.32 | 4.32 | 4.32 | ChEMBL |
| P2Y2 | P2RY2 | Human | P2Y | A | pIC50 | 4.3 | 4.3 | 4.3 | ChEMBL |
| P2Y2 | P2RY2 | Human | P2Y | A | pIC50 | 8.37 | 8.37 | 8.37 | Drug Central |
| P2Y6 | P2RY6 | Human | P2Y | A | pKb | 8.4 | 8.4 | 8.4 | Drug Central |
| P2Y11 | P2Y11 | Human | P2Y | A | pIC50 | 8.22 | 8.22 | 8.22 | Drug Central |
| P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 8.25 | 8.25 | 8.25 | Drug Central |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.2 | 5.2 | 5.2 | ChEMBL |
| P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 5.6 | 5.6 | 5.6 | Guide to Pharmacology |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.8 | 5.8 | 5.8 | ChEMBL |