MRE 3008F20
SMILES | CCCn1cc2c(n1)nc(n1c2nc(n1)c1ccco1)NC(=O)Nc1ccc(cc1)OC |
InChIKey | CJRNHKSLHHWUAB-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 432.2 |
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 | 8.52 | 8.52 | 8.52 | Guide to Pharmacology |
P2Y11 | P2Y11 | Human | P2Y | A | pEC50 | 5.82 | 5.82 | 5.82 | ChEMBL |
P2Y12 | P2Y12 | Human | P2Y | A | pIC50 | 8.6 | 8.6 | 8.6 | ChEMBL |
P2Y12 | P2Y12 | Human | P2Y | A | pEC50 | 8.89 | 8.89 | 8.89 | ChEMBL |