AKUAMMICINE


SMILES C/C=C1/CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccccc14
InChIKey AGZMFTKKLPHOMT-DUJTVWLASA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 322.2

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-HT5A 5HT5A Human 5-Hydroxytryptamine A pKi 5.53 5.53 5.53 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 5.92 5.92 5.92 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 5.32 5.32 5.32 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 5.85 5.85 5.85 ChEMBL
δ OPRD Human Opioid A pKi 4.6 4.62 4.63 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.32 5.32 5.32 ChEMBL
κ OPRK Human Opioid A pKi 6.78 6.98 7.1 ChEMBL
μ OPRM Human Opioid A pKi 5.43 5.47 5.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 6.6 6.61 6.62 ChEMBL
μ OPRM Mouse Opioid A pIC50 5.08 5.09 5.1 ChEMBL
δ OPRD Mouse Opioid A pIC50 4.9 4.91 4.91 ChEMBL
κ OPRK Human Opioid A pEC50 4.4 5.41 5.92 ChEMBL