AR-C67085
SMILES | CCCSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O |
InChIKey | ZLIAJZQKKBOFJR-WOUKDFQISA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 7 |
Rotatable bonds | 11 |
Molecular weight (Da) | 647.0 |
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 | pKd | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
P2Y12 | P2Y12 | Human | P2Y | A | pKd | 8.34 | 8.34 | 8.34 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
P2Y11 | P2Y11 | Human | P2Y | A | pEC50 | 5.82 | 5.82 | 5.82 | ChEMBL |
P2Y12 | P2Y12 | Human | P2Y | A | pEC50 | 8.89 | 8.89 | 8.89 | ChEMBL |
P2Y12 | P2Y12 | Human | P2Y | A | pIC50 | 8.6 | 8.6 | 8.6 | ChEMBL |
P2Y11 | P2Y11 | Human | P2Y | A | pEC50 | 8.52 | 8.52 | 8.52 | Guide to Pharmacology |