LY53857


SMILES CC(C(O)C)OC(=O)[C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C
InChIKey JQYLIGHHVGCTPR-LYRPIDSHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 384.2

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
D2 DRD2 Human Dopamine A pKi 5.6 6.6 7.6 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 7.1 7.75 8.4 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKd 9.6 9.6 9.6 Guide to Pharmacology
D3 DRD3 Rat Dopamine A pKd 9.1 9.1 9.1 Guide to Pharmacology
D3 DRD3 Rat Dopamine A pKi 8.21 8.47 8.93 ChEMBL
D3 DRD3 Rat Dopamine A pKd 9.17 9.17 9.17 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.51 7.03 8.6 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 5.55 6.34 7.14 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.85 8.07 8.85 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.84 6.95 8.64 ChEMBL
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 5.99 5.99 5.99 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.75 7.06 8.57 PDSP Ki database
D3 DRD3 Human Dopamine A pKi 7.25 8.55 9.41 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.42 7.2 8.03 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 6.58 6.94 7.29 PDSP Ki database
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.33 7.33 7.33 ChEMBL
D4 DRD4 Human Dopamine A pKi 6.83 6.83 6.83 ChEMBL
H1 HRH1 Human Histamine A pKi 5.82 5.82 5.82 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 8.41 8.65 8.89 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 6.2 6.2 6.2 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D3 DRD3 Rat Dopamine A pIC50 8.9 8.93 8.96 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 6.72 7.0 7.52 ChEMBL
D2 DRD2 Rat Dopamine A pEC50 8.73 8.73 8.73 ChEMBL
D3 DRD3 Human Dopamine A pEC50 9.02 9.15 9.28 ChEMBL
D2 DRD2 Human Dopamine A pEC50 7.4 7.4 7.4 ChEMBL