BIBP3226
SMILES | O=C([C@H](NC(=O)C(c1ccccc1)c1ccccc1)CCCN=C(N)N)NCc1ccc(cc1)O |
InChIKey | KUWBXRGRMQZCSS-HSZRJFAPSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 5 |
Rotatable bonds | 11 |
Molecular weight (Da) | 473.2 |
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 |
5-HT4 | 5HT4R | Mouse | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 7.68 | 7.98 | 8.28 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pEC50 | 7.18 | 7.56 | 7.78 | ChEMBL |
5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pEC50 | 7.7 | 7.7 | 7.7 | ChEMBL |