icatibant [4034]



icatibant


SMILES NC(N)=NCCCC(NC(=O)[C@H](N)CCCN=C(N)N)C(=O)N1CCCC1C(=O)N1C[C@H](O)CC1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2CC1C(=O)N1C(C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C[C@@H]2CCCC[C@@H]21
InChIKey QURWXBZNHXJZBE-MCDGZUPGSA-N
Sequence RRPXGXSXXR
HELM PEPTIDE1{[dR].R.P.[Hyp].G.[Thi].S.[dTic].[Phi].R}$$$$

Chemical Properties

Hydrogen bond acceptors 17
Hydrogen bond donors 15
Rotatable bonds 30
Log P -5.023
Molecular weight (Da) 1303.7
Stereochemistry info partial

Database connections

Model (Boltz2) B2
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

icatibant


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 1

Database connections

Model (Boltz2) B2
GPCRdb related ligands

Sankey plot

Drug Information

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