I-ABOPX
SMILES | CCCn1c(=O)c2[nH]c(nc2n(c1=O)Cc1ccc(c(c1)I)N)c1ccc(cc1)OCC(=O)O |
InChIKey | DKJMGIXWGPEEFF-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 3 |
Rotatable bonds | 8 |
Molecular weight (Da) | 575.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
P2Y2 | P2RY2 | Human | P2Y | A | pEC50 | 6.1 | 6.1 | 6.1 | Guide to Pharmacology |
P2Y12 | P2Y12 | Human | P2Y | A | pIC50 | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
P2Y4 | P2RY4 | Rat | P2Y | A | pEC50 | 5.9 | 5.9 | 5.9 | Guide to Pharmacology |