isothiourea-1t


SMILES CC1(C)N=c2n(C1)c(cs2)CS/C(=N\C1CCCCC1)/NC1CCCCC1
InChIKey OOSUDWRRWZVFEB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 406.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 3ODU 3OE6 3OE9 3OE8

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.7 7.7 7.7 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.66 7.66 7.66 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 6.17 6.17 6.17 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 7.09 7.42 7.74 PDSP Ki database
D5 DRD5 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D1 DRD1 Rat Dopamine A pKi 5.0 5.0 5.0 PDSP Ki database
D4 DRD4 Rat Dopamine A pKi 6.55 6.55 6.55 PDSP Ki database
D2 DRD2 Rat Dopamine A pKi 7.04 7.75 8.46 PDSP Ki database
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 6.2 6.2 6.2 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database