BAY-294
SMILES | CNCc1ccccc1-c1csc([C@H](C)Nc2nc(C)nc3cc(OC)c(OC)cc23)c1 |
InChIKey | WEGLOYDTDILXDA-HNNXBMFYSA-N |
Chemical properties
Hydrogen bond acceptors | None |
Hydrogen bond donors | None |
Rotatable bonds | None |
Molecular weight (Da) |
Drug properties
Molecular type | Na |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.98 | 5.98 | 5.98 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.02 | 7.02 | 7.02 | ChEMBL |
H4 | HRH4 | Human | Histamine | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.02 | 7.02 | 7.02 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 7.67 | 7.67 | 7.67 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.52 | 6.52 | 6.52 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 5.87 | 5.87 | 5.87 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.89 | 6.89 | 6.89 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.13 | 7.13 | 7.13 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.83 | 5.83 | 5.83 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.15 | 6.15 | 6.15 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.16 | 7.16 | 7.16 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.63 | 5.63 | 5.63 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |