vimseltinib   Click here for help

GtoPdb Ligand ID: 11190

Synonyms: DCC-3014 | DCC3014 | example 10 [WO2014145025A2]
Compound class: Synthetic organic
Comment: The chemical structure submitted to the WHO for the INN vimseltinib is identical to that of the investigational, oral CSF1R inhibitor DCC-3014, via a PubChem structure match. The compound is claimed as example 10 in Deciphera Pharmaceuticals' patent WO2014145025A2, in which KIT proto-oncogene inhibitory activity is also noted [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 99.75
Molecular weight 431.21
XLogP 3.58
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(Nc1ncc(c(=O)n1C)c1ccc(c(n1)C)Oc1ccnc(c1)c1cnn(c1)C)C
Isomeric SMILES CC(Nc1ncc(c(=O)n1C)c1ccc(c(n1)C)Oc1ccnc(c1)c1cnn(c1)C)C
InChI InChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27)
InChI Key TVGAHWWPABTBCX-UHFFFAOYSA-N
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Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel