CHEMBL3422007


SMILES Cc1cccc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1
InChIKey QJNHNXFWOFSZPP-MRXNPFEDSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 415.1

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
NK3 NK3R Human Tachykinin A pKi 8.0 8.0 8.0 ChEMBL
NK1 NK1R Human Tachykinin A pKi 4.76 4.76 4.76 ChEMBL
NK2 NK2R Human Tachykinin A pKi 5.23 5.23 5.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 7.96 7.98 8.0 ChEMBL