conteltinib   Click here for help

GtoPdb Ligand ID: 9763

Synonyms: CT-707 | CT707 | example 96 [WO2012092880] | US9428508, 96
Compound class: Synthetic organic
Comment: Conteltinib (CT-707) is a multikinase inhibitor with activity vs. FAK, ALK and Pyk2 tyrosine kinases [1]. It is being developed by Centaurus Biopharma for antineoplastic potential.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 135.37
Molecular weight 635.34
XLogP 4.7
No. Lipinski's rules broken 1
Click here for help
Canonical SMILES COc1cc(ccc1Nc1nc2NCCc2c(n1)Nc1ccccc1S(=O)(=O)NC(C)C)N1CCC(CC1)N1CCN(CC1)C
Isomeric SMILES COc1cc(ccc1Nc1nc2NCCc2c(n1)Nc1ccccc1S(=O)(=O)NC(C)C)N1CCC(CC1)N1CCN(CC1)C
InChI InChI=1S/C32H45N9O3S/c1-22(2)38-45(42,43)29-8-6-5-7-27(29)34-31-25-11-14-33-30(25)36-32(37-31)35-26-10-9-24(21-28(26)44-4)40-15-12-23(13-16-40)41-19-17-39(3)18-20-41/h5-10,21-23,38H,11-20H2,1-4H3,(H3,33,34,35,36,37)
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
10696 conteltinib
Synonyms Click here for help
CT-707 | CT707 | example 96 [WO2012092880] | US9428508, 96
Database Links Click here for help
BindingDB Ligand 245641
GtoPdb PubChem SID 354702236
PubChem CID 89860551
Search Google for chemical match using the InChIKey NPJCURIANJMFEO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NPJCURIANJMFEO
Search PubMed clinical trials conteltinib
Search PubMed titles conteltinib
Search PubMed titles/abstracts conteltinib
UniChem Compound Search for chemical match using the InChIKey NPJCURIANJMFEO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey NPJCURIANJMFEO-UHFFFAOYSA-N