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-002850 | A | R1 ethynyl · R2 Me · Ar 3,5-diF-phenyl | C19H13F2N3 | 321.3 | 4.46 | 37.8 | 0 | — | designed | |
| AFN-002851 | A | R1 ethynyl · R2 Me · Ar Thiophen-2-yl | C17H13N3S | 291.4 | 4.24 | 37.8 | 0 | — | designed | |
| AFN-002852 | A | R1 ethynyl · R2 Me · Ar Thiophen-3-yl | C17H13N3S | 291.4 | 4.24 | 37.8 | 0 | — | designed | |
| AFN-002853 | A | R1 ethynyl · R2 Me · Ar Furan-3-yl | C17H13N3O | 275.3 | 3.77 | 51.0 | 0 | — | designed | |
| AFN-002854 | A | R1 ethynyl · R2 Me · Ar 1-Me-pyrazol-4-yl | C17H15N5 | 289.3 | 2.91 | 55.6 | 0 | — | designed | |
| AFN-002855 | A | R1 ethynyl · R2 Me · Ar 1-Me-indol-3-yl | C22H18N4 | 338.4 | 4.67 | 42.7 | 0 | — | designed | |
| AFN-002856 | A | R1 ethynyl · R2 Me · Ar Naphthalen-2-yl | C23H17N3 | 335.4 | 5.33 | 37.8 | 0 | — | designed | |
| AFN-002857 | A | R1 ethynyl · R2 Me · Ar Pyrimidin-5-yl | C17H13N5 | 287.3 | 2.97 | 63.6 | 0 | — | designed | |
| AFN-002858 | A | R1 ethynyl · R2 Me · Ar Quinolin-3-yl | C22H16N4 | 336.4 | 4.73 | 50.7 | 0 | — | designed | |
| AFN-002859 | A | R1 ethynyl · R2 Me · Ar 6-MeO-pyridin-3-yl | C19H16N4O | 316.4 | 3.58 | 59.9 | 1 | 8.01 | tested | |
| AFN-002860 | A | R1 ethynyl · R2 F · Ar Phenyl | C18H12FN3 | 289.3 | 4.01 | 37.8 | 0 | — | designed | |
| AFN-002861 | A | R1 ethynyl · R2 F · Ar Pyridin-3-yl | C17H11FN4 | 290.3 | 3.40 | 50.7 | 0 | — | designed | |
| AFN-002862 | A | R1 ethynyl · R2 F · Ar Pyridin-4-yl | C17H11FN4 | 290.3 | 3.40 | 50.7 | 0 | — | designed | |
| AFN-002863 | A | R1 ethynyl · R2 F · Ar Pyridin-2-yl | C17H11FN4 | 290.3 | 3.40 | 50.7 | 0 | — | designed | |
| AFN-002864 | A | R1 ethynyl · R2 F · Ar 3-F-phenyl | C18H11F2N3 | 307.3 | 4.15 | 37.8 | 1 | 7.58 | tested | |
| AFN-002865 | A | R1 ethynyl · R2 F · Ar 4-F-phenyl | C18H11F2N3 | 307.3 | 4.15 | 37.8 | 0 | — | designed | |
| AFN-002866 | A | R1 ethynyl · R2 F · Ar 3-Cl-phenyl | C18H11ClFN3 | 323.8 | 4.66 | 37.8 | 0 | — | designed | |
| AFN-002867 | A | R1 ethynyl · R2 F · Ar 3-MeO-phenyl | C19H14FN3O | 319.3 | 4.02 | 47.0 | 0 | — | designed | |
| AFN-002868 | A | R1 ethynyl · R2 F · Ar 2-MeO-phenyl | C19H14FN3O | 319.3 | 4.02 | 47.0 | 0 | — | designed | |
| AFN-002869 | A | R1 ethynyl · R2 F · Ar 3-CN-phenyl | C19H11FN4 | 314.3 | 3.88 | 61.6 | 1 | — | tested | |
| AFN-002870 | A | R1 ethynyl · R2 F · Ar 3,5-diF-phenyl | C18H10F3N3 | 325.3 | 4.29 | 37.8 | 1 | 7.54 | tested | |
| AFN-002871 | A | R1 ethynyl · R2 F · Ar Thiophen-2-yl | C16H10FN3S | 295.3 | 4.07 | 37.8 | 0 | — | designed | |
| AFN-002872 | A | R1 ethynyl · R2 F · Ar Thiophen-3-yl | C16H10FN3S | 295.3 | 4.07 | 37.8 | 0 | — | designed | |
| AFN-002873 | A | R1 ethynyl · R2 F · Ar Furan-3-yl | C16H10FN3O | 279.3 | 3.60 | 51.0 | 0 | — | designed | |
| AFN-002874 | A | R1 ethynyl · R2 F · Ar 1-Me-pyrazol-4-yl | C16H12FN5 | 293.3 | 2.74 | 55.6 | 0 | — | designed | |
| AFN-002875 | A | R1 ethynyl · R2 F · Ar 1-Me-indol-3-yl | C21H15FN4 | 342.4 | 4.50 | 42.7 | 1 | 7.62 | tested | |
| AFN-002876 | A | R1 ethynyl · R2 F · Ar Naphthalen-2-yl | C22H14FN3 | 339.4 | 5.16 | 37.8 | 0 | — | designed | |
| AFN-002877 | A | R1 ethynyl · R2 F · Ar Pyrimidin-5-yl | C16H10FN5 | 291.3 | 2.80 | 63.6 | 0 | — | designed | |
| AFN-002878 | A | R1 ethynyl · R2 F · Ar Quinolin-3-yl | C21H13FN4 | 340.4 | 4.56 | 50.7 | 0 | — | designed | |
| AFN-002879 | A | R1 ethynyl · R2 F · Ar 6-MeO-pyridin-3-yl | C18H13FN4O | 320.3 | 3.41 | 59.9 | 1 | 7.88 | tested | |
| AFN-002880 | A | R1 ethynyl · R2 Cl · Ar Phenyl | C18H12ClN3 | 305.8 | 4.52 | 37.8 | 0 | — | designed | |
| AFN-002881 | A | R1 ethynyl · R2 Cl · Ar Pyridin-3-yl | C17H11ClN4 | 306.8 | 3.92 | 50.7 | 0 | — | designed | |
| AFN-002882 | A | R1 ethynyl · R2 Cl · Ar Pyridin-4-yl | C17H11ClN4 | 306.8 | 3.92 | 50.7 | 0 | — | designed | |
| AFN-002883 | A | R1 ethynyl · R2 Cl · Ar Pyridin-2-yl | C17H11ClN4 | 306.8 | 3.92 | 50.7 | 0 | — | designed | |
| AFN-002884 | A | R1 ethynyl · R2 Cl · Ar 3-F-phenyl | C18H11ClFN3 | 323.8 | 4.66 | 37.8 | 0 | — | designed | |
| AFN-002885 | A | R1 ethynyl · R2 Cl · Ar 4-F-phenyl | C18H11ClFN3 | 323.8 | 4.66 | 37.8 | 0 | — | designed | |
| AFN-002886 | A | R1 ethynyl · R2 Cl · Ar 3-Cl-phenyl | C18H11Cl2N3 | 340.2 | 5.18 | 37.8 | 1 | 7.43 | tested | |
| AFN-002887 | A | R1 ethynyl · R2 Cl · Ar 3-MeO-phenyl | C19H14ClN3O | 335.8 | 4.53 | 47.0 | 0 | — | designed | |
| AFN-002888 | A | R1 ethynyl · R2 Cl · Ar 2-MeO-phenyl | C19H14ClN3O | 335.8 | 4.53 | 47.0 | 0 | — | designed | |
| AFN-002889 | A | R1 ethynyl · R2 Cl · Ar 3-CN-phenyl | C19H11ClN4 | 330.8 | 4.39 | 61.6 | 0 | — | designed | |
| AFN-002890 | A | R1 ethynyl · R2 Cl · Ar 3,5-diF-phenyl | C18H10ClF2N3 | 341.8 | 4.80 | 37.8 | 0 | — | designed | |
| AFN-002891 | A | R1 ethynyl · R2 Cl · Ar Thiophen-2-yl | C16H10ClN3S | 311.8 | 4.58 | 37.8 | 0 | — | designed | |
| AFN-002892 | A | R1 ethynyl · R2 Cl · Ar Thiophen-3-yl | C16H10ClN3S | 311.8 | 4.58 | 37.8 | 0 | — | designed | |
| AFN-002893 | A | R1 ethynyl · R2 Cl · Ar Furan-3-yl | C16H10ClN3O | 295.7 | 4.11 | 51.0 | 0 | — | designed | |
| AFN-002894 | A | R1 ethynyl · R2 Cl · Ar 1-Me-pyrazol-4-yl | C16H12ClN5 | 309.8 | 3.26 | 55.6 | 0 | — | designed | |
| AFN-002895 | A | R1 ethynyl · R2 Cl · Ar 1-Me-indol-3-yl | C21H15ClN4 | 358.8 | 5.01 | 42.7 | 0 | — | designed | |
| AFN-002896 | A | R1 ethynyl · R2 Cl · Ar Naphthalen-2-yl | C22H14ClN3 | 355.8 | 5.68 | 37.8 | 0 | — | designed | |
| AFN-002897 | A | R1 ethynyl · R2 Cl · Ar Pyrimidin-5-yl | C16H10ClN5 | 307.7 | 3.31 | 63.6 | 0 | — | designed | |
| AFN-002898 | A | R1 ethynyl · R2 Cl · Ar Quinolin-3-yl | C21H13ClN4 | 356.8 | 5.07 | 50.7 | 0 | — | designed | |
| AFN-002899 | A | R1 ethynyl · R2 Cl · Ar 6-MeO-pyridin-3-yl | C18H13ClN4O | 336.8 | 3.93 | 59.9 | 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