Ligand id: 6800

Name: carmustine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 61.77
Molecular weight 213.01
XLogP 0.89
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 enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
glutathione-disulfide reductase N/A Inhibitor Inhibition 4.2 pIC50 - 1
pIC50 4.2 (IC50 7.1x10-5 M) [1]
Description: The enzyme inhibition assay uses purified S. cerevisiae glutathione reductase