SB 222200


SMILES CC[C@@H](c1ccccc1)NC(=O)c1c(C)c(nc2c1cccc2)c1ccccc1
InChIKey MQNYRKWJSMQECI-QFIPXVFZSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 380.2

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 6.6 7.5 8.4 Guide to Pharmacology
NK3 NK3R Human Tachykinin A pKi 8.08 8.25 8.42 ChEMBL
NK2 NK2R Human Tachykinin A pKi 6.56 6.56 6.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 7.7 7.7 7.7 Guide to Pharmacology
NK3 NK3R Human Tachykinin A pIC50 7.82 8.07 8.17 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.3 5.3 5.3 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.6 4.7 4.8 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 6.0 6.0 6.0 ChEMBL