vimseltinib   Click here for help

GtoPdb Ligand ID: 11190

Synonyms: compound 20 [PMID: 35961460] | DCC-3014 | DCC3014 | example 10 [WO2014145025A2]
PDB Ligand
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]. Name to structure was formally disclosed in Caldwell et al. (2022) [2]. Vimseltinib's selectivity is determined by its interactions within the switch control region of the CSF1R that regulates kinase conformational activation.
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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
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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)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
11443 vimseltinib
Synonyms Click here for help
compound 20 [PMID: 35961460] | DCC-3014 | DCC3014 | example 10 [WO2014145025A2]
Database Links Click here for help
CAS Registry No. 1628606-05-2 (source: WHO INN record)
GtoPdb PubChem SID 434122250
PubChem CID 86267612
Search Google for chemical match using the InChIKey TVGAHWWPABTBCX-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey TVGAHWWPABTBCX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey TVGAHWWPABTBCX-UHFFFAOYSA-N