Rauwolscine

Chemical Properties

SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 1
Molecular weight 354.2

Drug Properties

Type Small molecule
Endogenous No
Approved No
InChIKey BLGXFZZNTVWLAY-DIRVCLHFSA-N

Database Connections

External Links
Ligand site mutations α1B 5-HT1B


Bioactivity

Receptor Experimental Data Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.5 6.95 7.4 Guide to Pharmacology
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.8 7.8 7.8 Guide to Pharmacology
5-HT1E 5HT1E Human 5-Hydroxytryptamine A pKi 5.4 5.45 5.5 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.8 8.1 8.4 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKd 8.4 8.4 8.4 Guide to Pharmacology
5-HT2B 5HT2B Rat 5-Hydroxytryptamine A pKi 7.4 7.4 7.4 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pKi 8.4 8.4 8.4 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pKd 9.5 9.5 9.5 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 8.3 8.3 8.3 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKd 9.4 9.4 9.4 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKi 9.1 9.1 9.1 Guide to Pharmacology
α2C ADA2C Human Adrenoceptors A pKd 9.9 9.9 9.9 Guide to Pharmacology
α2A ADA2A Bovine Adrenoceptors A pKi 7.75 8.11 8.47 ChEMBL
A2B AA2BR Rat Adenosine A pKd 7.02 7.44 7.86 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 6.03 6.03 6.03 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 7.46 7.46 7.46 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 5.64 7.73 9.22 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 8.33 8.33 8.33 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 9.0 9.0 9.0 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 7.8 7.8 7.8 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.36 5.36 5.36 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.34 8.34 8.34 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.88 7.17 8.46 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKd 7.4 7.4 7.4 ChEMBL