SB 218795


SMILES COC(=O)[C@@H](c1ccccc1)NC(=O)c1cc(nc2c1cccc2)c1ccccc1
InChIKey IUMQXQJZIHWLIN-HSZRJFAPSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 396.1

Drug properties

Molecular type Small molecule
Endogenous/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 6.03 7.27 7.89 ChEMBL
NK2 NK2R Human Tachykinin A pKi 5.08 5.5 5.91 ChEMBL
NK3 NK3R Human Tachykinin A pKi 7.8 7.88 7.97 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.9 4.9 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.9 4.9 4.9 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 7.1 7.1 7.1 ChEMBL