FMS586
SMILES | O=C(N(CCc1ccncc1)C)Nc1ccc2c(c1)c1CCCCc1n2C(C)C |
InChIKey | YLNOMVNCZMWDST-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 390.2 |
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 | Human | Dopamine | A | pKi | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.8 | 8.8 | 8.8 | Guide to Pharmacology |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
D4 | DRD4 | Human | Dopamine | A | pKi | 7.15 | 7.15 | 7.15 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKi | 9.0 | 9.67 | 10.05 | ChEMBL |
D2 | DRD2 | Rat | Dopamine | A | pKd | 9.77 | 9.77 | 9.77 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 9.8 | 9.9 | 9.97 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 9.59 | 9.86 | 10.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D2 | DRD2 | Rat | Dopamine | A | pIC50 | 9.04 | 9.04 | 9.04 | ChEMBL |