uzansertib   Click here for help

GtoPdb Ligand ID: 10626

Synonyms: INCB-053914 | INCB053914
Compound class: Synthetic organic
Comment: Uzansertib (INCB053914) is a pan-PIM kinase inhibitor that was developed by Incyte Corporation as a novel anticancer agent [1]. The chemical structure that was submitted to the WHO for the INN uzansertib is identical to the structure of INCB053914. INCB053914 is a Type 1, ATP-competitive inhibitor. The PIMs (PIM1, PIM2, and PIM3) are serine/threonine protein kinases that are important players in JAK/STAT and PI3K/AKT signalling pathways and in tumourigenesis. PIMs are known to be overexpressed in haematologic and solid tumours, and consequently PIM inhibitors are being developed and investigated for clinical anti-tumour potential.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 124.6
Molecular weight 513.2
XLogP 2.47
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC1CN(CC(C1O)N)c1c(cnc2c1CCC2O)NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F
Isomeric SMILES C[C@@H]1CN(C[C@@H]([C@H]1O)N)c1c(cnc2c1CC[C@@H]2O)NC(=O)c1ccc(c(n1)c1c(F)cccc1F)F
InChI InChI=1S/C26H26F3N5O3/c1-12-10-34(11-17(30)25(12)36)24-13-5-8-20(35)22(13)31-9-19(24)33-26(37)18-7-6-16(29)23(32-18)21-14(27)3-2-4-15(21)28/h2-4,6-7,9,12,17,20,25,35-36H,5,8,10-11,30H2,1H3,(H,33,37)/t12-,17+,20+,25+/m1/s1
InChI Key PTORCEYGCGXHDH-SGQXWQAPSA-N
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
11257 uzansertib
Synonyms Click here for help
INCB-053914 | INCB053914
Database Links Click here for help
CAS Registry No. 1620012-39-6 (source: WHO INN record)
GtoPdb PubChem SID 404859073
PubChem CID 129606875
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