icatibant


SMILES N[C@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](CC1=CC=CS1)C(=O)N[C@@H](CO)C(=O)N1CC2=C(C[C@@H]1C(=O)N1[C@H]3CCCC[C@H]3C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C=CC=C2
InChIKey QURWXBZNHXJZBE-SKXRKSCCSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 18
Rotatable bonds 30
Molecular weight (Da) 1303.7

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
B1 BKRB1 Human Bradykinin A pKi 8.15 8.15 8.15 Drug Central
B2 BKRB2 Human Bradykinin A pKi 7.99 7.99 7.99 Drug Central
B2 BKRB2 Mouse Bradykinin A pKi 8.02 8.02 8.02 Drug Central
B1 BKRB1 Rat Bradykinin A pKi 8.19 8.19 8.19 Drug Central
B2 BKRB2 Guinea pig Bradykinin A pKi 8.0 8.0 8.0 Drug Central
B2 BKRB2 Rat Bradykinin A pKi 8.0 8.0 8.0 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database