yohimbine

Ligand id: 102

Name: yohimbine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 65.56
Molecular weight 354.19
XLogP 2.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
α2C-adrenoceptor Antagonist Antagonist 8.5 – 9.5 pKi - 4-5,14
pKi 8.5 – 9.5 [4-5,14]
α2A-adrenoceptor Antagonist Antagonist 8.4 – 9.2 pKi - 4-5,14
pKi 8.4 – 9.2 [4-5,14]
α2B-adrenoceptor Antagonist Antagonist 7.9 – 8.9 pKi - 4-5,14
pKi 7.9 – 8.9 [4-5,14]
5-HT2B receptor Antagonist Antagonist 7.4 – 7.9 pKi - 3,7,16
pKi 7.4 – 7.9 [3,7,16]
5-HT1D receptor Antagonist Antagonist 7.2 – 7.7 pKi - 6,8,12,17
pKi 7.2 – 7.7 [6,8,12,17]
5-HT1A receptor Antagonist Antagonist 7.3 pKi - 12
pKi 7.3 [12]
5-HT1B receptor Antagonist Antagonist 6.8 – 7.6 pKi - 12,17
pKi 6.8 – 7.6 [12,17]
5-HT1F receptor Antagonist Antagonist 7.0 pKi - 1
pKi 7.0 [1]
5-ht1e receptor Antagonist Antagonist 5.9 pKi - 1
pKi 5.9 [1]
5-HT7 receptor Antagonist Antagonist 5.6 pKi - 2
pKi 5.6 [2]
5-HT5A receptor Antagonist Antagonist 5.3 pKi - 13
pKi 5.3 [13]
Selectivity at mouse GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT1B receptor Antagonist Antagonist 8.3 pKi - 10
pKi 8.3 [10]
5-HT5A receptor Antagonist Antagonist 4.9 – 6.0 pKi - 11,18
pKi 4.9 – 6.0 [11,18]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT2B receptor Antagonist Antagonist 7.3 pKi - 15
pKi 7.3 [15]
5-HT1F receptor Antagonist Antagonist 6.2 pIC50 - 9
pIC50 6.2 [9]
Ligand mentioned in the following text fields