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
Physiological/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