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
Endogenous/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
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
P2Y1 P2RY1 Human P2Y A pKi 5.3 5.3 5.3 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
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
TSH TSHR Human Glycoprotein hormone A Potency 5.2 5.2 5.2 ChEMBL
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 8.22 8.22 8.22 Drug Central
P2Y11 P2Y11 Human P2Y A pIC50 4.8 5.4 6.0 Guide to Pharmacology
P2Y13 P2Y13 Human P2Y A pIC50 8.25 8.25 8.25 Drug Central
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