MADURAMICIN


SMILES CO[C@H]1C[C@@H](O[C@H]2C[C@H]([C@H]3O[C@](C)(O)[C@H](C)C[C@@H]3C)O[C@H]2[C@]2(C)CC[C@H]([C@]3(C)CC[C@]4(C[C@H](O)[C@@H](C)[C@@H]([C@@H](C)[C@@H]5O[C@](O)(CC(=O)O)[C@@H](C)[C@H](OC)[C@H]5OC)O4)O3)O2)O[C@@H](C)[C@@H]1OC
InChIKey RWVUEZAROXKXRT-VQLSFVLHSA-N

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 4
Rotatable bonds 13
Molecular weight (Da) 916.5

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.87 8.87 8.87 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 5.58 5.58 5.58 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.92 7.92 7.92 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 5.87 5.87 5.87 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.63 6.63 6.63 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.26 6.26 6.26 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.17 7.17 7.17 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.68 7.68 7.68 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.84 5.84 5.84 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.35 8.35 8.35 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 9.1 9.1 9.1 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.75 7.75 7.75 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.61 8.61 8.61 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.03 8.03 8.03 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.63 6.63 6.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pIC50 8.53 8.53 8.53 ChEMBL
α1B ADA1B Rat Adrenoceptors A pIC50 5.33 5.33 5.33 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 7.57 7.57 7.57 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 5.48 5.48 5.48 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 5.79 5.79 5.79 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 5.95 5.95 5.95 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.75 6.75 6.75 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.48 7.48 7.48 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.54 5.54 5.54 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.11 8.11 8.11 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 8.77 8.77 8.77 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 7.47 7.47 7.47 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 8.06 8.06 8.06 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.57 7.57 7.57 ChEMBL
D2 DRD2 Human Dopamine A pIC50 6.15 6.15 6.15 ChEMBL