pentagastrin [6195]
pentagastrin
| SMILES | CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OCC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
| InChIKey | ALXRNCVIQSDJAO-KRCBVYEFSA-N |
| Sequence | XWMDF |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 8 |
| Rotatable bonds | 22 |
| Log P | 1.378 |
| Molecular weight (Da) | 767.3 |
| Stereochemistry info | unspecified |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
pentagastrin
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0