Ligand id: 10225

Name: ML10

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 100.87
Molecular weight 508.21
XLogP 4.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Baker DA, Stewart LB, Large JM, Bowyer PW, Ansell KH, Jiménez-Díaz MB, El Bakkouri M, Birchall K, Dechering KJ, Bouloc NS et al.. (2017)
A potent series targeting the malarial cGMP-dependent protein kinase clears infection and blocks transmission.
Nat Commun, 8 (1): 430. [PMID:28874661]