tizaterkib   Click here for help

GtoPdb Ligand ID: 11674

Synonyms: ATG-017 | AZD-0364 | AZD0364
PDB Ligand
Compound class: Synthetic organic
Comment: Tizaterkib (AZD0364) is a potent, selective and reversible type 1 ERK1/2 inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 102.99
Molecular weight 494.2
XLogP 3.95
No. Lipinski's rules broken 0
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Canonical SMILES COC[C@H]1Cn2cc(nc2C(=O)N1Cc1ccc(c(c1)F)F)c1nc(ncc1C)Nc1ccnn1C
Isomeric SMILES Fc1cc(ccc1F)CN1C(=O)c2n(C[C@@H]1COC)cc(n2)c1nc(ncc1C)Nc1ccnn1C
InChI InChI=1S/C24H24F2N8O2/c1-14-9-27-24(30-20-6-7-28-32(20)2)31-21(14)19-12-33-11-16(13-36-3)34(23(35)22(33)29-19)10-15-4-5-17(25)18(26)8-15/h4-9,12,16H,10-11,13H2,1-3H3,(H,27,30,31)/t16-/m1/s1
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
11871 tizaterkib
Synonyms Click here for help
ATG-017 | AZD-0364 | AZD0364
Database Links Click here for help
BindingDB Ligand 50505988
CAS Registry No. 2097416-76-5 (source: WHO INN record)
ChEMBL Ligand CHEMBL4482864
GtoPdb PubChem SID 442878700
PubChem CID 129116690
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UniChem Compound Search for chemical match using the InChIKey HVIGNZUDBVLTLU-MRXNPFEDSA-N
UniChem Connectivity Search for chemical match using the InChIKey HVIGNZUDBVLTLU-MRXNPFEDSA-N