CHEMBL33412
SMILES | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCCN3CCN(C(=O)CNCCCOc4cccc(CN5CCCCC5)c4)CC3)c2)N=C(c2ccccc2)c2ccccc21 |
InChIKey | MCNFWRDFEGILPS-GWHBCOKCSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 4 |
Rotatable bonds | 17 |
Molecular weight (Da) | 857.5 |
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 |
H2 | HRH2 | Rat | Histamine | A | pKd | 6.2 | 6.2 | 6.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK1 | CCKAR | Mouse | Cholecystokinin | A | pIC50 | 6.13 | 6.13 | 6.13 | ChEMBL |
CCK2 | GASR | Mouse | Cholecystokinin | A | pIC50 | 7.35 | 7.35 | 7.35 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 8.15 | 8.15 | 8.15 | ChEMBL |