CHEMBL413205


SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCC(N)/C(S)=N/c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)NC(=O)c1ccccc1)C(N)=O
InChIKey ACZUPCJVIWXWMD-QLEOZAFXSA-N

Chemical properties

Hydrogen bond acceptors 15
Hydrogen bond donors 11
Rotatable bonds 26
Molecular weight (Da) 1349.6

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
NK2 NK2R Human Tachykinin A pKi 7.61 7.61 7.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database