GDC-0134   Click here for help

GtoPdb Ligand ID: 11506

Synonyms: compound 279 [WO2014177060A1] | GDC0134
Compound class: Synthetic organic
Comment: GDC-0134 is a dual leucine zipper kinase (DLK) inhibitor [1]. It was developed by Genentech for the treatment of amyotrophic lateral sclerosis (ALS, a.k.a. motor neurone disease, MND). GDC-0134 was proposed to decrease disease progression. The chemical structure shown here wasdrawn using Marvin JS (ChemAxon), which gave SMILES that resolve to the PubChem CID listed below. Other drawring tools my produce SMILES that generate an InChiKey with an alternative stereo layer.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 89.63
Molecular weight 440.16
XLogP 4.01
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES FC(Oc1cc(cnc1N)c1cc(nc(n1)N1CCC(C1)(F)F)N1C[C@@H]2C[C@H]1CO2)F
Isomeric SMILES FC(Oc1cc(cnc1N)c1cc(nc(n1)N1CCC(C1)(F)F)N1C[C@@H]2C[C@H]1CO2)F
InChI InChI=1S/C19H20F4N6O2/c20-17(21)31-14-3-10(6-25-16(14)24)13-5-15(29-7-12-4-11(29)8-30-12)27-18(26-13)28-2-1-19(22,23)9-28/h3,5-6,11-12,17H,1-2,4,7-9H2,(H2,24,25)/t11-,12-/m0/s1
InChI Key SKMKJBYBPYBDMN-RYUDHWBXSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
compound 279 [WO2014177060A1] | GDC0134
Database Links Click here for help
ChEMBL Ligand CHEMBL3732012
GtoPdb PubChem SID 441604878
PubChem CID 86298636
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