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Chemical structure of DDR1-IN-5

GC65378

DDR1-IN-5

Also known as 7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-N-[5-(trifluoromethyl)-3-pyridinyl]-1,2-benzoxazol-3-amine

DDR1-IN-5 is a selective Discoidin Domain Receptor family, member 1 (DDR1) inhibitor with an IC50 of 7·36 nM· DDR1-IN-5 inhibits auto-phosphorylation DDR1b (Y513) with an IC50 of 4·1 nM· DDR1-IN-5 has anti-cancer activity

ChemicalCAS2416022-90-5MW434.37FormulaC22H13F3N6O
CAS number
2416022-90-5
Molecular weight
434.37
Formula
C22H13F3N6O
InChIKey
LGHRUPKASNQBFS-UHFFFAOYSA-N
Catalogue number
GC65378
Brand
GLPBIO
Computed properties PubChem CID 146522931 · XLogP 4.2 · TPSA 81.1 Ų · H-bond donors 1
XLogP
4.2
TPSA
81.1 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
32

SMILES CC1=C(C2=C(C=C1)C(=NO2)NC3=CN=CC(=C3)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5

Computed descriptors from PubChem (CID 146522931), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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