mitemcinal


SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@H]([C@]2(OC(=C(C)C2)[C@@H](C(=O)[C@]1(C)OC)C)C)O[C@@H]1O[C@H](C)C[C@@H]([C@H]1O)N(C(C)C)C
InChIKey BELMMAAWNYFCGF-AQBNEDITSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 755.5

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-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 8.26 8.27 8.28 ChEMBL
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 ChEMBL
5-HT4 5HT4R Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 PDSP Ki database
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pKi 8.1 8.24 8.6 PDSP Ki database
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 7.6 7.67 7.7 PDSP Ki database
5-HT4 5HT4R Rat 5-Hydroxytryptamine A pKi 7.6 7.65 7.7 Guide to Pharmacology
μ OPRM Rat Opioid A pKi 5.0 5.0 5.0 PDSP Ki database
5-HT4 5HT4R Mouse 5-Hydroxytryptamine A pKi 8.11 8.18 8.2 PDSP Ki database
5-HT4 5HT4R Mouse 5-Hydroxytryptamine A pKi 8.1 8.1 8.1 Guide to Pharmacology
5-HT1D F1MMU1 Bovine 5-Hydroxytryptamine A pKi 5.6 5.6 5.6 PDSP Ki database
5-HT1A A0A4X1UTF5 Pig 5-Hydroxytryptamine A pKi 5.4 5.4 5.4 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 5.4 5.4 5.4 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
TSH TSHR Human Glycoprotein hormone A Potency 6.4 6.4 6.4 ChEMBL
5-HT4 5HT4R Guinea pig 5-Hydroxytryptamine A pIC50 6.6 6.94 7.11 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.75 4.75 4.75 ChEMBL