goserelin [3747]



goserelin


SMILES CC(C)C[C@H](NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(N)=O
InChIKey BLCLNMBMMGCOAS-URPVMXJPSA-N
Sequence XHWSYSLRP

Chemical Properties

Hydrogen bond acceptors 16
Hydrogen bond donors 17
Rotatable bonds 31
Log P -3.106
Molecular weight (Da) 1268.6
Stereochemistry info unspecified

Database connections

Model (AF2) GnRH1
Model (Boltz2) GnRH1 LH
GPCRdb related ligands

No bioactivity data available.

goserelin


Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 0
Phase II 13
Phase III 4
Phase IV 12

Database connections

Model (AF2) GnRH1
Model (Boltz2) GnRH1 LH
GPCRdb related ligands

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score