antarelix [884]



antarelix


SMILES CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCCNC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@@H]1C(=O)NC(C)C(N)=O
InChIKey NOENHWMKHNSHGX-FAZSUBJTSA-N
Sequence AFASYXLKPA
HELM PEPTIDE1{[ac].[*C(=O)[C@@H](Cc1ccc2ccccc2c1)N* |$_R2;;;;;;;;;;;;;;;;_R1$|].[*C(=O)[C@H](Cc1ccc(cc1)Cl)N* |$_R2;;;;;;;;;;;;;_R1$|].[*C(=O)[C@@H](Cc1cccnc1)N* |$_R2;;;;;;;;;;;;_R1$|].S.Y.[*C(=O)[C@@H](CCCCNC(=O)N)N* |$_R2;;;;;;;;;;;;;_R1$|].L.[*C(=O)[C@H](CCCCNC(C)C)N* |$_R2;;;;;;;;;;;;;_R1$|].[dP].(A,[dA]).[am]}$$$$V2.0

Chemical Properties

Hydrogen bond acceptors 16
Hydrogen bond donors 15
Rotatable bonds 41
Log P 1.789
Molecular weight (Da) 1457.7
Stereochemistry info unspecified

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

antarelix


Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 2
Phase III 0
Phase IV 0

Database connections


Sankey plot