cagrilintide [1610]
cagrilintide
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)[C@@H](C)O)C(=O)N[C@H](CC(C)C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(N)=O)[C@H](C)O)C(C)C)[C@H](C)O |
| InChIKey | LDERDVMBIYGIOI-IZVMHKDJSA-N |
| Sequence | None |
Chemical Properties
| Hydrogen bond acceptors | 62 |
| Hydrogen bond donors | 60 |
| Rotatable bonds | 135 |
| Log P | -19.057 |
| Molecular weight (Da) | 4406.3 |
| Stereochemistry info | partial |
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 |
cagrilintide
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