mesulergine
SMILES | CN1C[C@H](C[C@H]2[C@H]1Cc1cn(c3c1c2ccc3)C)NS(=O)(=O)N(C)C |
InChIKey | JLVHTNZNKOSCNB-YSVLISHTSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 362.2 |
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 |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.74 | 8.74 | 8.74 | Guide to Pharmacology |
D1 | DRD1 | Rat | Dopamine | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.81 | 5.81 | 5.81 | ChEMBL |
D1 | DRD1 | Pig | Dopamine | A | pKi | 8.41 | 8.41 | 8.41 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D1 | DRD1 | Goldfish | Dopamine | A | pEC50 | 8.09 | 8.09 | 8.09 | ChEMBL |
D1 | DRD1 | Rat | Dopamine | A | pEC50 | 8.29 | 8.29 | 8.29 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pEC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |