zyklophin [8986]
zyklophin
| SMILES | CCC(C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)CC(=O)NC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O |
| InChIKey | UWLIKQFWZOPOAX-HRFULILYSA-N |
| Sequence | None |
| HELM | PEPTIDE1{[*C(=O)[C@H](Cc1ccc(cc1)O)NCc2ccccc2 |$_R2;;;;;;;;;;;;;;;;;;;$|].G.G.F.D.R.[*C(=O)[C@H](C(C)CC)N* |$_R2;;;;;;;;;_R1$|].[Dpr].R.P.K.[am]}$PEPTIDE1,PEPTIDE1,5:R3-8:R3$$$ |
Chemical Properties
| Hydrogen bond acceptors | 17 |
| Hydrogen bond donors | 18 |
| Rotatable bonds | 35 |
| Log P | -4.760 |
| Molecular weight (Da) | 1364.7 |
| Stereochemistry info | unspecified |
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 |
zyklophin
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