CHEMBL3577342
SMILES | C#CC1=CC[C@@H](N(CCC)CCCCNC(=O)c2ccc(OCCCc3cn(CCCC)nn3)c(OC)c2)CO1 |
InChIKey | XPMUUENUQYZASR-HHHXNRCGSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 18 |
Molecular weight (Da) | 551.3 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 4.62 | 4.62 | 4.62 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.58 | 5.58 | 5.58 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.2 | 9.2 | 9.2 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.1 | 5.1 | 5.1 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.54 | 8.67 | 8.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.18 | 6.88 | 7.55 | ChEMBL |