clozapine

Ligand id: 38

Name: clozapine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 30.87
Molecular weight 326.13
XLogP 4.32
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
H1 receptor Antagonist Antagonist 8.8 – 9.6 pKi - 5,16,31
pKi 8.8 – 9.6 [5,16,31]
5-HT2B receptor Antagonist Antagonist 8.0 – 8.8 pKi - 11,23,42
pKi 8.0 – 8.8 [11,23,42]
5-HT2A receptor Antagonist Inverse agonist 7.6 – 9.0 pKi - 11,16,23,31,41
pKi 7.6 – 9.0 [11,16,23,31,41]
α1B-adrenoceptor Antagonist Antagonist 8.2 pKi - 43
pKi 8.2 [43]
α1A-adrenoceptor Antagonist Antagonist 8.1 pKi - 43
pKi 8.1 [43]
5-HT2C receptor Antagonist Inverse agonist 7.4 – 8.7 pKi - 7,10-11,16,23,41
pKi 7.4 – 8.7 [7,10-11,16,23,41]
5-HT6 receptor Antagonist Inverse agonist 7.8 – 8.1 pKi - 2,4,13,27
pKi 7.8 – 8.1 [2,4,13,27]
α1D-adrenoceptor Antagonist Antagonist 7.7 pKi - 43
pKi 7.7 [43]
5-HT7 receptor Antagonist Inverse agonist 7.2 – 7.8 pKi - 15,27,40
pKi 7.2 – 7.8 [15,27,40]
D4 receptor Antagonist Antagonist 7.5 pKi - 17
pKi 7.5 [17]
5-HT1F receptor Agonist Full agonist 6.9 pKi - 31
pKi 6.9 [31]
D1 receptor Antagonist Antagonist 6.9 pKi - 37
pKi 6.9 [37]
5-HT1A receptor Agonist Full agonist 6.8 – 6.9 pKi - 23,25,31
pKi 6.8 – 6.9 [23,25,31]
D5 receptor Antagonist Antagonist 6.6 pKi - 37
pKi 6.6 [37]
H4 receptor Antagonist Antagonist 6.2 – 6.7 pKi - 18-20,44
pKi 6.2 – 6.7 [18-20,44]
5-HT1D receptor Agonist Full agonist 6.4 pKi - 31
pKi 6.4 [31]
5-ht1e receptor Agonist Full agonist 6.4 pKi - 31
pKi 6.4 [31]
D2 receptor Antagonist Antagonist 5.8 – 6.9 pKi - 8,22,32,34,39
pKi 5.8 – 6.9 [8,22,32,34,39]
5-HT5A receptor Antagonist Antagonist 6.0 – 6.5 pKi - 9,28
pKi 6.0 – 6.5 [9,28]
5-HT1B receptor Agonist Full agonist 6.2 pKi - 31
pKi 6.2 [31]
D3 receptor Antagonist Antagonist 5.2 – 6.3 pKi - 8,34
pKi 5.2 – 6.3 [8,34]
M1 receptor Allosteric modulator Positive 7.9 pIC50 - 38
pIC50 7.9 [38]
Selectivity at mouse GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT7 receptor Antagonist Inverse agonist 7.4 pKi - 26
pKi 7.4 [26]
H4 receptor Antagonist Antagonist 5.5 pKi - 20
pKi 5.5 [20]
5-HT5A receptor Antagonist Antagonist 5.3 pKi - 9
pKi 5.3 [9]
Selectivity at mouse ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Kir3.2 Gating inhibitor Antagonist 3.8 pEC50 - 12
pEC50 3.8 [12]
Voltage: -70.0 mV
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT2A receptor Antagonist Inverse agonist 8.9 pKi - 6
pKi 8.9 [6]
5-HT6 receptor Antagonist Inverse agonist 7.5 – 8.4 pKi - 1,3-4,14,23-24,29
pKi 7.5 – 8.4 [1,3-4,14,23-24,29]
5-HT7 receptor Antagonist Inverse agonist 7.2 – 8.2 pKi - 14,29-30,33
pKi 7.2 – 8.2 [14,29-30,33]
D2 receptor Antagonist Antagonist 6.2 pKi - 35
pKi 6.2 [35]
H3 receptor Antagonist Antagonist 5.8 pKi - 21
pKi 5.8 [21]
D3 receptor Antagonist Antagonist 5.7 pKi - 35
pKi 5.7 [35]
H4 receptor Antagonist Antagonist 5.7 pKi - 20
pKi 5.7 [20]
M1 receptor Allosteric modulator Positive 7.7 pIC50 - 36
pIC50 7.7 [36]