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Chemical structure of DDR1-IN-4

GC64268

DDR1-IN-4

Also known as 2-[4-bromo-2-oxo-1'-(1H-pyrazolo[4,5-b]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

DDR1-IN-4 (Compound 2·45) is a selective and potent Discoidin Domain Receptor 1 (DDR1) autophosphorylation inhibitor, with IC50 values of 29 nM and 1·9 μM for DDR1 and DDR2, respectively

ChemicalCAS2125676-13-1MW565.34FormulaC23H20BrF3N6O3
CAS number
2125676-13-1
Molecular weight
565.34
Formula
C23H20BrF3N6O3
Solubility
DMSO ： 250 mg/mL (442·21 mM; Need ultrasonic)
InChIKey
UXEXYURPAPXPSR-UHFFFAOYSA-N
Catalogue number
GC64268
Brand
GLPBIO
Computed properties PubChem CID 130301864 · XLogP 2.6 · TPSA 111 Ų · H-bond donors 2
XLogP
2.6
TPSA
111 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
36

SMILES C1CN(CCC12C3=C(C=CC=C3Br)N(C2=O)CC(=O)NCC(F)(F)F)C(=O)C4=NC5=C(C=C4)NN=C5

Computed descriptors from PubChem (CID 130301864), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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