tanzisertib   Click here for help

GtoPdb Ligand ID: 9836

Synonyms: CC-930 | CC930 | compound 1 [PMID: 22244937]
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: Tanzisertib (CC-930) is a potent, selective, and orally active first generation JNK inhibitor [1]. It inhibits JNK1/2 but with a JNK2 bias. Tanzisertib is being investigated for potential antifibrotic activity based on preclinical evidence that JNK enzyme function is required for key steps in the pulmonary fibrotic process. Preventing/reducing fibrosis represents a more favourable treatment modality that offered by current therapies for idiopathic pulmonary fibrosis which delay the loss of lung function but do not stabilise and/or reverse fibrotic tissue damage.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 97.12
Molecular weight 448.18
XLogP 3.2
No. Lipinski's rules broken 0
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Canonical SMILES OC1CCC(CC1)Nc1ncc2c(n1)n(C1COCC1)c(n2)Nc1c(F)cc(cc1F)F
Isomeric SMILES OC1CCC(CC1)Nc1ncc2c(n1)n([C@@H]1COCC1)c(n2)Nc1c(F)cc(cc1F)F
InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12?,13-,14?/m0/s1
Bioactivity Comments
CC-930 inhibits the activity of all 3 JNK enzymes (with some bias towards JNK2), and is selective for JNK vs. the p38α MAP kinases [1].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
mitogen-activated protein kinase 10 Hs Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 (IC50 6x10-9 M) [1]
mitogen-activated protein kinase 9 Hs Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 7x10-9 M) [1]
mitogen-activated protein kinase 8 Hs Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 6.1x10-8 M) [1]