CHEMBL298612
SMILES | Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21 |
InChIKey | ZNAPADWWBWFMCQ-OAHLLOKOSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 311.2 |
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-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.4 | 6.4 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 4.8 | 4.8 | 4.8 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 4.6 | 4.6 | 4.6 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 4.5 | 4.5 | 4.5 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 4.6 | 4.6 | 4.6 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 4.9 | 4.9 | 4.9 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 4.6 | 4.6 | 4.6 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 4.3 | 4.3 | 4.3 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 4.5 | 4.5 | 4.5 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 4.6 | 4.6 | 4.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |