UFP-512
SMILES | Oc1cc(C)c(c(c1)C)C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](c1[nH]c2c(n1)cccc2)CC(=O)O)N |
InChIKey | USVQTDLSVBRMCR-YGPDHOBYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 5 |
Rotatable bonds | 8 |
Molecular weight (Da) | 555.2 |
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 |
A3 | AA3R | Human | Adenosine | A | pKi | 5.61 | 5.61 | 5.61 | ChEMBL |
A1 | AA1R | Human | Adenosine | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |