CHEMBL3717941
SMILES | N=C(N)NCCC[C@@H](C(N)=O)n1c(-c2cccc(Oc3ccccc3)c2)nc2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccc21 |
InChIKey | GSNUNSDCZPXTDL-LJAQVGFWSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 5 |
Rotatable bonds | 12 |
Molecular weight (Da) | 643.3 |
Drug properties
Molecular type | Small molecule |
Physiological/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 |
MRGPRX1 | MRGX1 | Human | A orphans | A | pEC50 | 6.4 | 6.4 | 6.4 | ChEMBL |