UR-PG131A
SMILES | O=C(CC(c1ccc(c(c1)F)F)c1ncc[nH]1)NC(=NCCCc1cnc[nH]1)N |
InChIKey | DGJMWXIXZSWRLP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 4 |
Rotatable bonds | 8 |
Molecular weight (Da) | 401.2 |
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 |
GPR6 | GPR6 | Human | A orphans | A | pKi | 8.03 | 8.14 | 8.26 | ChEMBL |
GPR6 | GPR6 | Human | A orphans | A | pKi | 8.03 | 8.03 | 8.03 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPR6 | GPR6 | Human | A orphans | A | pEC50 | 4.42 | 5.81 | 7.2 | ChEMBL |