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 GtoPdb and ChEMBL (where available) across species

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
H1 receptor Hs Antagonist Antagonist 8.8 – 9.6 pKi - 5,16,31
pKi 8.8 – 9.6 [5,16,31]
5-HT2A receptor Rn Antagonist Inverse agonist 8.9 pKi - 6
pKi 8.9 [6]
5-HT2B receptor Hs Antagonist Antagonist 8.0 – 8.8 pKi - 11,23,42
pKi 8.0 – 8.8 [11,23,42]
5-HT2A receptor Hs 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 Hs Antagonist Antagonist 8.2 pKi - 43
pKi 8.2 [43]
α1A-adrenoceptor Hs Antagonist Antagonist 8.1 pKi - 43
pKi 8.1 [43]
5-HT2C receptor Hs 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 Hs Antagonist Inverse agonist 7.8 – 8.1 pKi - 2,4,13,27
pKi 7.8 – 8.1 [2,4,13,27]
5-HT6 receptor Rn 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 Rn Antagonist Inverse agonist 7.2 – 8.2 pKi - 14,29-30,33
pKi 7.2 – 8.2 [14,29-30,33]
α1D-adrenoceptor Hs Antagonist Antagonist 7.7 pKi - 43
pKi 7.7 [43]
5-HT7 receptor Hs Antagonist Inverse agonist 7.2 – 7.8 pKi - 15,27,40
pKi 7.2 – 7.8 [15,27,40]
D4 receptor Hs Antagonist Antagonist 7.5 pKi - 17
pKi 7.5 [17]
5-HT7 receptor Mm Antagonist Inverse agonist 7.4 pKi - 26
pKi 7.4 [26]
5-HT1F receptor Hs Agonist Full agonist 6.9 pKi - 31
pKi 6.9 [31]
D1 receptor Hs Antagonist Antagonist 6.9 pKi - 37
pKi 6.9 [37]
5-HT1A receptor Hs Agonist Full agonist 6.8 – 6.9 pKi - 23,25,31
pKi 6.8 – 6.9 [23,25,31]
D5 receptor Hs Antagonist Antagonist 6.6 pKi - 37
pKi 6.6 [37]
H4 receptor Hs Antagonist Antagonist 6.2 – 6.7 pKi - 18-20,44
pKi 6.2 – 6.7 [18-20,44]
5-HT1D receptor Hs Agonist Full agonist 6.4 pKi - 31
pKi 6.4 [31]
5-ht1e receptor Hs Agonist Full agonist 6.4 pKi - 31
pKi 6.4 [31]
D2 receptor Hs 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 Hs Antagonist Antagonist 6.0 – 6.5 pKi - 9,28
pKi 6.0 – 6.5 [9,28]
5-HT1B receptor Hs Agonist Full agonist 6.2 pKi - 31
pKi 6.2 [31]
D2 receptor Rn Antagonist Antagonist 6.2 pKi - 35
pKi 6.2 [35]
H3 receptor Rn Antagonist Antagonist 5.8 pKi - 21
pKi 5.8 [21]
D3 receptor Hs Antagonist Antagonist 5.2 – 6.3 pKi - 8,34
pKi 5.2 – 6.3 [8,34]
D3 receptor Rn Antagonist Antagonist 5.7 pKi - 35
pKi 5.7 [35]
H4 receptor Rn Antagonist Antagonist 5.7 pKi - 20
pKi 5.7 [20]
H4 receptor Mm Antagonist Antagonist 5.5 pKi - 20
pKi 5.5 [20]
5-HT5A receptor Mm Antagonist Antagonist 5.3 pKi - 9
pKi 5.3 [9]
M1 receptor Hs Allosteric modulator Positive 7.9 pIC50 - 38
pIC50 7.9 [38]
M1 receptor Rn Allosteric modulator Positive 7.7 pIC50 - 36
pIC50 7.7 [36]
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Kir3.2 Mm Gating inhibitor Antagonist 3.8 pEC50 - 12
pEC50 3.8 [12]
Voltage: -70.0 mV