octreotide [5919]



octreotide


SMILES CC(O)C(CO)NC(=O)C1CSSCC(NC(=O)C(N)Cc2ccccc2)C(=O)NC(Cc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)N1
InChIKey DEQANNDTNATYII-UHFFFAOYSA-N
Sequence FCFWKTCT
HELM PEPTIDE1{(F,[dF]).(C,[dC]).(F,[dF]).(W,[dW]).(K,[dK]).[*C(=O)C(C(C)O)N* |$_R2;;;;;;;;_R1$|].(C,[dC]).[*NC(CO)C(C)O |$_R1;;;;;;;$|]}$PEPTIDE1,PEPTIDE1,2:R3-7:R3$$$V2.0

Chemical Properties

Hydrogen bond acceptors 14
Hydrogen bond donors 13
Rotatable bonds 17
Log P -0.805
Molecular weight (Da) 1018.4
Stereochemistry info unspecified

Database connections

Structure pdb 8ZBE 7Y26 8X8N 7T11 7XAU 7Y24 7YAE
GPCRdb related ligands

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

octreotide


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

Database connections

Structure pdb 8ZBE 7Y26 8X8N 7T11 7XAU 7Y24 7YAE
GPCRdb related ligands

Compound is not listed as a drug.