RTI-13951-33
SMILES | COCc1ccc(cc1)c1ccc(cc1)N(C(=O)[C@@H]1C[C@H]1c1ccccn1)C[C@H]([C@H](OC)C)N |
InChIKey | XCHHIKJEGXHKLQ-UJTWYAIMSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 459.3 |
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 |
GPR88 | GPR88 | Mouse | A orphans | A | pKd | 7.39 | 7.39 | 7.39 | ChEMBL |
GPR88 | GPR88 | Human | A orphans | A | pKd | 7.07 | 7.07 | 7.07 | ChEMBL |
GPR88 | GPR88 | Human | A orphans | A | pKi | 6.65 | 6.65 | 6.65 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GPR88 | GPR88 | Human | A orphans | A | pEC50 | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
GPR88 | GPR88 | Mouse | A orphans | A | pEC50 | 6.27 | 6.93 | 7.6 | ChEMBL |
GPR88 | GPR88 | Human | A orphans | A | pEC50 | 7.0 | 7.32 | 7.6 | ChEMBL |