CI-1040

Ligand id: 5676

Name: CI-1040

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 50.36
Molecular weight 477.98
XLogP 5.49
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
CI-1040 inhibits colon cancer xenograft growth by 80% [3].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
mitogen-activated protein kinase kinase 1 Hs Allosteric modulator Negative 6.9 pKd - 2
pKd 6.9 (Kd 1.2x10-7 M) [2]
mitogen-activated protein kinase kinase 1 Oc Allosteric modulator Negative 6.5 pIC50 - 1
pIC50 6.5 (IC50 3x10-7 M) [1]