SHAAGtide [7318]
SHAAGtide
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCSC)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCC(=O)O)[C@@H](C)O |
| InChIKey | ULUOXCRNSRVJPE-MJRHPTFMSA-N |
| Sequence | MLWRRKIGPQMTLSHAAG |
| HELM | PEPTIDE1{M.L.W.R.R.K.I.G.P.Q.M.T.L.S.H.A.A.G}$$$$ |
Chemical Properties
| Hydrogen bond acceptors | 28 |
| Hydrogen bond donors | 28 |
| Rotatable bonds | 67 |
| Log P | -7.342 |
| Molecular weight (Da) | 2052.1 |
| Stereochemistry info | partial |
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 |
SHAAGtide
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0