PD136450
SMILES | O=C(N[C@H](c1ccccc1)CNC(=O)[C@@](Cc1c[nH]c2c1cccc2)(NC(=O)OC1C2CC3CC1CC(C2)C3)C)/C=C/C(=O)O |
InChIKey | REMAMJQTIPBFTH-MYJPUEAFSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 5 |
Rotatable bonds | 11 |
Molecular weight (Da) | 612.3 |
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 |
CCK2 | GASR | Mouse | Cholecystokinin | A | pKi | 9.29 | 9.29 | 9.29 | ChEMBL |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pKi | 5.9 | 5.9 | 5.9 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK2 | GASR | Mouse | Cholecystokinin | A | pIC50 | 9.15 | 9.15 | 9.15 | ChEMBL |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 6.1 | 6.1 | 6.1 | ChEMBL |