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 |
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 |