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Chemical structure of PD-1/PD-L1-IN-14

GC69674

PD-1/PD-L1-IN-14

Also known as 2-[[3-[[5-(2-methyl-3-phenylphenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol

PD-1/PD-L1-IN-14 (compound 17) is an inhibitor of the interaction between PD-1 and PD-L1, with an IC50 value of 27·8 nM· PD-1/PD-L1-IN-14 (compound 17) inhibits the interaction between PD-1 and PD-L1, promotes dimerization, endocytosis, and degradation of PD-L1

ChemicalCAS2499965-12-5MW400.47FormulaC24H24N4O2
CAS number
2499965-12-5
Molecular weight
400.47
Formula
C24H24N4O2
Solubility
DMSO ： 100 mg/mL (249·71 mM; ultrasonic and warming and heat to 160°C)
InChIKey
YBHXMLDVPTWSAS-UHFFFAOYSA-N
Catalogue number
GC69674
Brand
GLPBIO
Computed properties PubChem CID 156102211 · XLogP 4 · TPSA 83.2 Ų · H-bond donors 3
XLogP
4
TPSA
83.2 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
30

SMILES CC1=C(C=CC=C1C2=NN=C(O2)NC3=CC=CC(=C3)CNCCO)C4=CC=CC=C4

Computed descriptors from PubChem (CID 156102211), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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