2-MPP
SMILES | COc1ccccc1N1CCNCC1 |
InChIKey | VNZLQLYBRIOLFZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 192.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.75 | 6.9 | Guide to Pharmacology |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.61 | 6.76 | 6.9 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.55 | 7.23 | 8.02 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.92 | 8.92 | 8.92 | ChEMBL |
5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 5.51 | 5.51 | 5.51 | PDSP Ki database |
5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.61 | 6.76 | 6.9 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.39 | 5.65 | 6.17 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.65 | 5.65 | 5.65 | ChEMBL |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.88 | 6.88 | 6.88 | PDSP Ki database |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 5.46 | 5.46 | 5.46 | ChEMBL |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.87 | 6.87 | 6.87 | PDSP Ki database |
5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 7.76 | 7.76 | 7.76 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
β2 | ADRB2 | Dog | Adrenoceptors | A | pIC50 | 4.47 | 4.47 | 4.47 | ChEMBL |