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

Sankey plot

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