IVERMECTIN
SMILES | CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4C[C@@H](C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@@]45O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O |
InChIKey | SPBDXSGPUHCETR-JFUDTMANSA-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 |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.59 | 5.59 | 5.59 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.65 | 5.65 | 5.65 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.92 | 5.92 | 5.92 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.41 | 5.41 | 5.41 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.22 | 5.22 | 5.22 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.23 | 5.23 | 5.23 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.31 | 5.31 | 5.31 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.66 | 5.66 | 5.66 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 6.29 | 6.29 | 6.29 | ChEMBL |