diltiazem

Ligand id: 2298

Name: diltiazem

IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: diltiazem

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 84.38
Molecular weight 414.16
XLogP 3.64
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 ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Kv1.5 Channel blocker Pore blocker 3.9 pKd - 2
pKd 3.9 (Kd 1.15x10-4 M) [2]
5-HT3A Channel blocker - 4.7 pIC50 - 6
pIC50 4.7 (IC50 2.1x10-5 M) [6]
Cav1.1 Channel blocker Antagonist - - -
Cav1.2 Channel blocker Antagonist - - -
Selectivity at mouse ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
5-HT3A Channel blocker - 4.2 – 5.3 pIC50 - 3,5
pIC50 4.2 – 5.3 (IC50 7.14x10-5 – 5.5x10-6 M) [3,5]
Voltage: -60.0 mV
Kv1.7 Channel blocker - 4.2 pIC50 - 4
pIC50 4.2 [4]
Cav1.4 Channel blocker - 4.0 pIC50 - 1
pIC50 4.0 [1]
Voltage: -80.0 mV
Kv3.1 Channel blocker - 4.0 pIC50 - 2
pIC50 4.0 [2]
Kv1.1 Channel blocker - 3.8 pIC50 - 2
pIC50 3.8 [2]
Selectivity at rat ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Kv1.2 Channel blocker Pore blocker 3.7 pKd - 2
pKd 3.7 (Kd 1.87x10-4 M) [2]
Ligand mentioned in the following text fields