compound 2 [PMID: 24793972]
SMILES | CCCc1ccc(cc1)c1ccc(cc1)N(C(=O)[C@@H]1C[C@H]1c1ccccn1)C[C@H]([C@H](CC)C)N |
InChIKey | OBGKRTYDTRUMGO-RFNYNIMXSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 455.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 7EJX |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPR88 | GPR88 | Human | A orphans | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPR88 | GPR88 | Human | A orphans | A | pEC50 | 6.22 | 6.22 | 6.22 | Guide to Pharmacology |
GPR88 | GPR88 | Human | A orphans | A | pEC50 | 6.9 | 7.5 | 8.52 | ChEMBL |
GPR88 | GPR88 | Mouse | A orphans | A | pEC50 | 5.94 | 5.94 | 5.94 | ChEMBL |