MRS1523


SMILES CCCOC(=O)c1c(CCC)c(C(=O)SCC)c(nc1c1ccccc1)CC
InChIKey UUSHFEVEROROSP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 9
Molecular weight (Da) 399.2

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
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 5.44 5.44 5.44 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 7.7 7.7 7.7 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 4.81 4.81 4.81 Guide to Pharmacology
A2B AA2BR Mouse Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 6.95 6.95 6.95 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 5.69 5.69 5.69 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 6.45 6.73 6.95 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.68 5.69 5.69 ChEMBL
A1 AA1R Rat Adenosine A pKi 4.81 4.81 4.81 ChEMBL
A3 AA3R Human Adenosine A pKi 5.67 7.13 7.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.44 5.44 5.44 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.46 6.46 6.46 ChEMBL
A3 AA3R Mouse Adenosine A pKi 6.14 6.14 6.14 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 7.75 7.75 7.75 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 4.9 4.9 4.9 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.5 4.5 ChEMBL