DIHYDREXIDINE


SMILES Oc1cc2c(cc1O)[C@H]1c3ccccc3CN[C@@H]1CC2
InChIKey BGOQGUHWXBGXJW-RHSMWYFYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 0
Molecular weight (Da) 267.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations D2

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D5 DRD5 Rat Dopamine A pKi 7.8 7.8 7.8 ChEMBL
D4 DRD4 Rat Dopamine A pKi 7.89 7.89 7.89 ChEMBL
D1 DRD1 Pig Dopamine A pKi 7.68 7.68 7.68 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 5.62 5.62 5.62 ChEMBL
D1 DRD1 Rat Dopamine A pKi 7.0 7.0 7.0 ChEMBL
β1 ADRB1 Human Adrenoceptors A pKi 5.82 5.82 5.82 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.92 7.31 8.21 ChEMBL
D2 DRD2 Rat Dopamine A pKd 4.89 5.4 5.64 ChEMBL
D2 DRD2 Rat Dopamine A pKi 5.85 5.85 5.85 ChEMBL
β2 ADRB2 Human Adrenoceptors A pKi 5.92 5.92 5.92 ChEMBL
D2 DRD2 Human Dopamine A pKi 5.58 6.14 7.24 ChEMBL
β2 ADRB2 Rat Adrenoceptors A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Human Dopamine A pKi 7.45 7.54 7.68 PDSP Ki database
D2 DRD2 Human Dopamine A pKi 5.58 6.01 6.62 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 8.0 8.2 8.64 PDSP Ki database
D1 DRD1 Rhesus macaque Dopamine A pKi 7.69 7.69 7.69 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 5.83 7.01 7.85 PDSP Ki database
D5 DRD5 Rat Dopamine A pKi 7.8 7.8 7.8 PDSP Ki database
D4 DRD4 Rat Dopamine A pKi 7.89 7.89 7.89 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D1 DRD1 Goldfish Dopamine A pEC50 7.06 7.06 7.06 ChEMBL
D1 DRD1 Rat Dopamine A pIC50 6.83 7.82 8.25 ChEMBL
D1 DRD1 Rat Dopamine A pEC50 7.52 7.52 7.52 ChEMBL
D1 DRD1 Human Dopamine A pEC50 7.72 7.89 8.14 ChEMBL
D2 DRD2 Rat Dopamine A pIC50 5.9 6.75 7.06 ChEMBL
D2 DRD2 Rat Dopamine A pEC50 7.16 7.16 7.16 ChEMBL
D4 DRD4 Human Dopamine A pEC50 7.77 7.77 7.77 ChEMBL
D2 DRD2 Human Dopamine A pEC50 5.79 5.79 5.79 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.3 5.3 5.3 ChEMBL