amesergide
SMILES | O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1 |
InChIKey | KEMOOQHMCGCZKH-JMUQELJHSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 393.3 |
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 |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.09 | 6.1 | 6.11 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 5.59 | 5.59 | 5.59 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.11 | 6.11 | 6.11 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 8.52 | 8.52 | 8.52 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 8.52 | 8.66 | 8.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 6.82 | 6.82 | 6.82 | Guide to Pharmacology |
D5 | DRD5 | Human | Dopamine | A | pEC50 | 6.6 | 6.6 | 6.6 | Guide to Pharmacology |
D2 | DRD2 | Rat | Dopamine | A | pEC50 | 4.99 | 5.16 | 5.41 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 8.68 | 8.7 | 8.71 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pEC50 | 8.71 | 8.71 | 8.71 | ChEMBL |