T134 [8122]
T134
| SMILES | N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(=O)O |
| InChIKey | ZFIUCXJWTNZDRW-UYROLUPNSA-N |
| Sequence | RRWCYRKKPYRXCR |
| HELM | PEPTIDE1{R.R.W.C.R.Y.R.K.[dK].P.Y.R.[Cit].C.R}$PEPTIDE1,PEPTIDE1,4:R3-14:R3$$$ |
Chemical Properties
| Hydrogen bond acceptors | 29 |
| Hydrogen bond donors | 40 |
| Rotatable bonds | 51 |
| Log P | -8.007 |
| Molecular weight (Da) | 2181.2 |
| Stereochemistry info | unspecified |
Database connections
| Model (AF2) | CXCR4 |
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 |
T134
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
Database connections
| Model (AF2) | CXCR4 |