LAS38096
SMILES | n1ccc(nc1)c1cnc(nc1c1ccco1)Nc1cccnc1 |
InChIKey | YRPIMMMBNUUYLG-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 316.1 |
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 |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
motilin | MTLR | Human | Motilin | A | pEC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
ghrelin | GHSR | Human | Ghrelin | A | pEC50 | 7.1 | 7.1 | 7.1 | ChEMBL |