Compound registry
KIN-07 · EGFR mutant-selective — structures, computed properties and batches
Series
Status
| Structure | Compound | Series | R-groups | Formula | MW | cLogP | TPSA (Ų) | Batches | pIC50 mut | Status |
|---|---|---|---|---|---|---|---|---|---|---|
| AFN-000850 | A | R1 Me · R2 CF3 · Ar 3,5-diF-phenyl | C18H12F5N3 | 365.3 | 5.49 | 37.8 | 0 | — | designed | |
| AFN-000851 | A | R1 Me · R2 CF3 · Ar Thiophen-2-yl | C16H12F3N3S | 335.4 | 5.28 | 37.8 | 0 | — | designed | |
| AFN-000852 | A | R1 Me · R2 CF3 · Ar Thiophen-3-yl | C16H12F3N3S | 335.4 | 5.28 | 37.8 | 0 | — | designed | |
| AFN-000853 | A | R1 Me · R2 CF3 · Ar Furan-3-yl | C16H12F3N3O | 319.3 | 4.81 | 51.0 | 0 | — | designed | |
| AFN-000854 | A | R1 Me · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C16H14F3N5 | 333.3 | 3.95 | 55.6 | 0 | — | designed | |
| AFN-000855 | A | R1 Me · R2 CF3 · Ar 1-Me-indol-3-yl | C21H17F3N4 | 382.4 | 5.71 | 42.7 | 1 | 7.07 | tested | |
| AFN-000856 | A | R1 Me · R2 CF3 · Ar Naphthalen-2-yl | C22H16F3N3 | 379.4 | 6.37 | 37.8 | 0 | — | designed | |
| AFN-000857 | A | R1 Me · R2 CF3 · Ar Pyrimidin-5-yl | C16H12F3N5 | 331.3 | 4.00 | 63.6 | 0 | — | designed | |
| AFN-000858 | A | R1 Me · R2 CF3 · Ar Quinolin-3-yl | C21H15F3N4 | 380.4 | 5.76 | 50.7 | 0 | — | designed | |
| AFN-000859 | A | R1 Me · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C18H15F3N4O | 360.3 | 4.62 | 59.9 | 0 | — | designed | |
| AFN-000860 | A | R1 Me · R2 CN · Ar Phenyl | C18H14N4 | 286.3 | 4.07 | 61.6 | 0 | — | designed | |
| AFN-000861 | A | R1 Me · R2 CN · Ar Pyridin-3-yl | C17H13N5 | 287.3 | 3.46 | 74.5 | 0 | — | designed | |
| AFN-000862 | A | R1 Me · R2 CN · Ar Pyridin-4-yl | C17H13N5 | 287.3 | 3.46 | 74.5 | 0 | — | designed | |
| AFN-000863 | A | R1 Me · R2 CN · Ar Pyridin-2-yl | C17H13N5 | 287.3 | 3.46 | 74.5 | 0 | — | designed | |
| AFN-000864 | A | R1 Me · R2 CN · Ar 3-F-phenyl | C18H13FN4 | 304.3 | 4.21 | 61.6 | 0 | — | designed | |
| AFN-000865 | A | R1 Me · R2 CN · Ar 4-F-phenyl | C18H13FN4 | 304.3 | 4.21 | 61.6 | 0 | — | designed | |
| AFN-000866 | A | R1 Me · R2 CN · Ar 3-Cl-phenyl | C18H13ClN4 | 320.8 | 4.72 | 61.6 | 0 | — | designed | |
| AFN-000867 | A | R1 Me · R2 CN · Ar 3-MeO-phenyl | C19H16N4O | 316.4 | 4.08 | 70.8 | 0 | — | designed | |
| AFN-000868 | A | R1 Me · R2 CN · Ar 2-MeO-phenyl | C19H16N4O | 316.4 | 4.08 | 70.8 | 0 | — | designed | |
| AFN-000869 | A | R1 Me · R2 CN · Ar 3-CN-phenyl | C19H13N5 | 311.4 | 3.94 | 85.4 | 0 | — | designed | |
| AFN-000870 | A | R1 Me · R2 CN · Ar 3,5-diF-phenyl | C18H12F2N4 | 322.3 | 4.35 | 61.6 | 0 | — | designed | |
| AFN-000871 | A | R1 Me · R2 CN · Ar Thiophen-2-yl | C16H12N4S | 292.4 | 4.13 | 61.6 | 0 | — | designed | |
| AFN-000872 | A | R1 Me · R2 CN · Ar Thiophen-3-yl | C16H12N4S | 292.4 | 4.13 | 61.6 | 0 | — | designed | |
| AFN-000873 | A | R1 Me · R2 CN · Ar Furan-3-yl | C16H12N4O | 276.3 | 3.66 | 74.7 | 0 | — | designed | |
| AFN-000874 | A | R1 Me · R2 CN · Ar 1-Me-pyrazol-4-yl | C16H14N6 | 290.3 | 2.80 | 79.4 | 0 | — | designed | |
| AFN-000875 | A | R1 Me · R2 CN · Ar 1-Me-indol-3-yl | C21H17N5 | 339.4 | 4.56 | 66.5 | 0 | — | designed | |
| AFN-000876 | A | R1 Me · R2 CN · Ar Naphthalen-2-yl | C22H16N4 | 336.4 | 5.22 | 61.6 | 0 | — | designed | |
| AFN-000877 | A | R1 Me · R2 CN · Ar Pyrimidin-5-yl | C16H12N6 | 288.3 | 2.86 | 87.4 | 0 | — | designed | |
| AFN-000878 | A | R1 Me · R2 CN · Ar Quinolin-3-yl | C21H15N5 | 337.4 | 4.62 | 74.5 | 0 | — | designed | |
| AFN-000879 | A | R1 Me · R2 CN · Ar 6-MeO-pyridin-3-yl | C18H15N5O | 317.4 | 3.47 | 83.7 | 1 | 7.75 | tested | |
| AFN-000880 | A | R1 Me · R2 OMe · Ar Phenyl | C18H17N3O | 291.4 | 4.20 | 47.0 | 0 | — | designed | |
| AFN-000881 | A | R1 Me · R2 OMe · Ar Pyridin-3-yl | C17H16N4O | 292.3 | 3.60 | 59.9 | 0 | — | designed | |
| AFN-000882 | A | R1 Me · R2 OMe · Ar Pyridin-4-yl | C17H16N4O | 292.3 | 3.60 | 59.9 | 0 | — | designed | |
| AFN-000883 | A | R1 Me · R2 OMe · Ar Pyridin-2-yl | C17H16N4O | 292.3 | 3.60 | 59.9 | 0 | — | designed | |
| AFN-000884 | A | R1 Me · R2 OMe · Ar 3-F-phenyl | C18H16FN3O | 309.3 | 4.34 | 47.0 | 0 | — | designed | |
| AFN-000885 | A | R1 Me · R2 OMe · Ar 4-F-phenyl | C18H16FN3O | 309.3 | 4.34 | 47.0 | 0 | — | designed | |
| AFN-000886 | A | R1 Me · R2 OMe · Ar 3-Cl-phenyl | C18H16ClN3O | 325.8 | 4.86 | 47.0 | 0 | — | designed | |
| AFN-000887 | A | R1 Me · R2 OMe · Ar 3-MeO-phenyl | C19H19N3O2 | 321.4 | 4.21 | 56.3 | 0 | — | designed | |
| AFN-000888 | A | R1 Me · R2 OMe · Ar 2-MeO-phenyl | C19H19N3O2 | 321.4 | 4.21 | 56.3 | 0 | — | designed | |
| AFN-000889 | A | R1 Me · R2 OMe · Ar 3-CN-phenyl | C19H16N4O | 316.4 | 4.08 | 70.8 | 0 | — | designed | |
| AFN-000890 | A | R1 Me · R2 OMe · Ar 3,5-diF-phenyl | C18H15F2N3O | 327.3 | 4.48 | 47.0 | 0 | — | designed | |
| AFN-000891 | A | R1 Me · R2 OMe · Ar Thiophen-2-yl | C16H15N3OS | 297.4 | 4.27 | 47.0 | 0 | — | designed | |
| AFN-000892 | A | R1 Me · R2 OMe · Ar Thiophen-3-yl | C16H15N3OS | 297.4 | 4.27 | 47.0 | 0 | — | designed | |
| AFN-000893 | A | R1 Me · R2 OMe · Ar Furan-3-yl | C16H15N3O2 | 281.3 | 3.80 | 60.2 | 0 | — | designed | |
| AFN-000894 | A | R1 Me · R2 OMe · Ar 1-Me-pyrazol-4-yl | C16H17N5O | 295.4 | 2.94 | 64.9 | 0 | — | designed | |
| AFN-000895 | A | R1 Me · R2 OMe · Ar 1-Me-indol-3-yl | C21H20N4O | 344.4 | 4.70 | 52.0 | 0 | — | designed | |
| AFN-000896 | A | R1 Me · R2 OMe · Ar Naphthalen-2-yl | C22H19N3O | 341.4 | 5.36 | 47.0 | 0 | — | designed | |
| AFN-000897 | A | R1 Me · R2 OMe · Ar Pyrimidin-5-yl | C16H15N5O | 293.3 | 2.99 | 72.8 | 0 | — | designed | |
| AFN-000898 | A | R1 Me · R2 OMe · Ar Quinolin-3-yl | C21H18N4O | 342.4 | 4.75 | 59.9 | 0 | — | designed | |
| AFN-000899 | A | R1 Me · R2 OMe · Ar 6-MeO-pyridin-3-yl | C18H18N4O2 | 322.4 | 3.61 | 69.2 | 0 | — | designed |
Properties calculated with RDKit offline, not at runtimeSubstructure: our own screen fingerprint, then VF2 matching — no RDKit at runtimepIC50 mut = mean of approved fits on ASY-EGFR-TM-03