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Chemical structure of ONO-8430506

GC64931

ONO-8430506

Also known as 4-[2-[8-[(4-fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]bicyclo[2.2.1]heptane-1-carboxylic acid

ONO-8430506 is an orally bioavailable and potent autotaxin (ATX)/ENPP2 inhibitor with the IC90 of 100 nM for ATX activity in mouse plasma

ChemicalCAS1354805-08-5MW461.53FormulaC27H28FN3O3
CAS number
1354805-08-5
Molecular weight
461.53
Formula
C27H28FN3O3
InChIKey
SGSFONPFVRRJLS-UHFFFAOYSA-N
Catalogue number
GC64931
Brand
GLPBIO
Computed properties PubChem CID 56597976 · XLogP 3.4 · TPSA 75.4 Ų · H-bond donors 1
XLogP
3.4
TPSA
75.4 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34

SMILES C1CN(CC2=C1C3=C(N2CC4=CC=C(C=C4)F)N=CC=C3)C(=O)CC56CCC(C5)(CC6)C(=O)O

Computed descriptors from PubChem (CID 56597976), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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