TIAPRIDE


SMILES CCN(CC)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC
InChIKey JTVPZMFULRWINT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 328.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D2 D4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α2A ADA2A Human Adrenoceptors A pKi 6.11 6.11 6.11 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.41 6.41 6.41 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.39 6.39 6.39 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.11 7.11 7.11 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 6.65 7.08 7.51 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 6.49 6.75 7.02 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 7.85 7.85 7.85 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 8.15 8.15 8.15 Drug Central
D3 DRD3 Human Dopamine A pKi 8.17 8.17 8.17 Drug Central
D4 DRD4 Human Dopamine A pKi 8.1 8.1 8.1 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 5.0 5.72 6.45 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 5.68 5.68 5.68 ChEMBL
D3 DRD3 Human Dopamine A pIC50 5.94 5.94 5.94 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.91 5.91 5.91 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.2 5.2 5.2 ChEMBL