lanreotide [4632]
lanreotide
| SMILES | CC(C)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(N)Cc2ccc3ccccc3c2)CSSCC(C(=O)NC(C(N)=O)C(C)O)NC1=O |
| InChIKey | PUDHBTGHUJUUFI-UHFFFAOYSA-N |
| Sequence | ACYWKVCT |
| HELM | PEPTIDE1{[*C(=O)C(Cc1ccc2ccccc2c1)N |$_R2;;;;;;;;;;;;;;;$|].(C,[dC]).(Y,[dY]).(W,[dW]).(K,[dK]).(V,[dV]).(C,[dC]).[*NC(C(C)O)C(=O)N |$_R1;;;;;;;;$|]}$PEPTIDE1,PEPTIDE1,2:R3-7:R3$$$V2.0 |
Chemical Properties
| Hydrogen bond acceptors | 14 |
| Hydrogen bond donors | 13 |
| Rotatable bonds | 17 |
| Log P | 0.822 |
| Molecular weight (Da) | 1095.5 |
| 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 |
lanreotide
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