ZD6021


SMILES N#Cc1cc2ccccc2c(c1)C(=O)N(C[C@H](c1ccc(c(c1)Cl)Cl)CCN1CCC(CC1)c1ccccc1[S@@](=O)C)C
InChIKey SJHZTGDJTIZMSK-KPRDSAADSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 631.2

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 7.13 7.13 7.13 ChEMBL
NK2 NK2R Human Tachykinin A pKi 9.19 9.21 9.22 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.92 9.96 10.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 9.9 9.9 9.9 Guide to Pharmacology