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-000900 | A | R1 Et · R2 H · Ar Phenyl | C18H17N3 | 275.4 | 4.45 | 37.8 | 0 | — | designed | |
| AFN-000901 | A | R1 Et · R2 H · Ar Pyridin-3-yl | C17H16N4 | 276.3 | 3.84 | 50.7 | 0 | — | designed | |
| AFN-000902 | A | R1 Et · R2 H · Ar Pyridin-4-yl | C17H16N4 | 276.3 | 3.84 | 50.7 | 0 | — | designed | |
| AFN-000903 | A | R1 Et · R2 H · Ar Pyridin-2-yl | C17H16N4 | 276.3 | 3.84 | 50.7 | 0 | — | designed | |
| AFN-000904 | A | R1 Et · R2 H · Ar 3-F-phenyl | C18H16FN3 | 293.4 | 4.59 | 37.8 | 1 | 6.86 | tested | |
| AFN-000905 | A | R1 Et · R2 H · Ar 4-F-phenyl | C18H16FN3 | 293.4 | 4.59 | 37.8 | 0 | — | designed | |
| AFN-000906 | A | R1 Et · R2 H · Ar 3-Cl-phenyl | C18H16ClN3 | 309.8 | 5.10 | 37.8 | 0 | — | designed | |
| AFN-000907 | A | R1 Et · R2 H · Ar 3-MeO-phenyl | C19H19N3O | 305.4 | 4.46 | 47.0 | 0 | — | designed | |
| AFN-000908 | A | R1 Et · R2 H · Ar 2-MeO-phenyl | C19H19N3O | 305.4 | 4.46 | 47.0 | 0 | — | designed | |
| AFN-000909 | A | R1 Et · R2 H · Ar 3-CN-phenyl | C19H16N4 | 300.4 | 4.32 | 61.6 | 0 | — | designed | |
| AFN-000910 | A | R1 Et · R2 H · Ar 3,5-diF-phenyl | C18H15F2N3 | 311.3 | 4.73 | 37.8 | 0 | — | designed | |
| AFN-000911 | A | R1 Et · R2 H · Ar Thiophen-2-yl | C16H15N3S | 281.4 | 4.51 | 37.8 | 0 | — | designed | |
| AFN-000912 | A | R1 Et · R2 H · Ar Thiophen-3-yl | C16H15N3S | 281.4 | 4.51 | 37.8 | 0 | — | designed | |
| AFN-000913 | A | R1 Et · R2 H · Ar Furan-3-yl | C16H15N3O | 265.3 | 4.04 | 51.0 | 0 | — | designed | |
| AFN-000914 | A | R1 Et · R2 H · Ar 1-Me-pyrazol-4-yl | C16H17N5 | 279.4 | 3.18 | 55.6 | 0 | — | designed | |
| AFN-000915 | A | R1 Et · R2 H · Ar 1-Me-indol-3-yl | C21H20N4 | 328.4 | 4.94 | 42.7 | 0 | — | designed | |
| AFN-000916 | A | R1 Et · R2 H · Ar Naphthalen-2-yl | C22H19N3 | 325.4 | 5.60 | 37.8 | 0 | — | designed | |
| AFN-000917 | A | R1 Et · R2 H · Ar Pyrimidin-5-yl | C16H15N5 | 277.3 | 3.24 | 63.6 | 0 | — | designed | |
| AFN-000918 | A | R1 Et · R2 H · Ar Quinolin-3-yl | C21H18N4 | 326.4 | 5.00 | 50.7 | 0 | — | designed | |
| AFN-000919 | A | R1 Et · R2 H · Ar 6-MeO-pyridin-3-yl | C18H18N4O | 306.4 | 3.85 | 59.9 | 0 | — | designed | |
| AFN-000920 | A | R1 Et · R2 Me · Ar Phenyl | C19H19N3 | 289.4 | 4.76 | 37.8 | 1 | 7.17 | tested | |
| AFN-000921 | A | R1 Et · R2 Me · Ar Pyridin-3-yl | C18H18N4 | 290.4 | 4.15 | 50.7 | 0 | — | designed | |
| AFN-000922 | A | R1 Et · R2 Me · Ar Pyridin-4-yl | C18H18N4 | 290.4 | 4.15 | 50.7 | 0 | — | designed | |
| AFN-000923 | A | R1 Et · R2 Me · Ar Pyridin-2-yl | C18H18N4 | 290.4 | 4.15 | 50.7 | 0 | — | designed | |
| AFN-000924 | A | R1 Et · R2 Me · Ar 3-F-phenyl | C19H18FN3 | 307.4 | 4.90 | 37.8 | 0 | — | designed | |
| AFN-000925 | A | R1 Et · R2 Me · Ar 4-F-phenyl | C19H18FN3 | 307.4 | 4.90 | 37.8 | 0 | — | designed | |
| AFN-000926 | A | R1 Et · R2 Me · Ar 3-Cl-phenyl | C19H18ClN3 | 323.8 | 5.41 | 37.8 | 1 | 7.51 | tested | |
| AFN-000927 | A | R1 Et · R2 Me · Ar 3-MeO-phenyl | C20H21N3O | 319.4 | 4.77 | 47.0 | 0 | — | designed | |
| AFN-000928 | A | R1 Et · R2 Me · Ar 2-MeO-phenyl | C20H21N3O | 319.4 | 4.77 | 47.0 | 0 | — | designed | |
| AFN-000929 | A | R1 Et · R2 Me · Ar 3-CN-phenyl | C20H18N4 | 314.4 | 4.63 | 61.6 | 0 | — | designed | |
| AFN-000930 | A | R1 Et · R2 Me · Ar 3,5-diF-phenyl | C19H17F2N3 | 325.4 | 5.04 | 37.8 | 0 | — | designed | |
| AFN-000931 | A | R1 Et · R2 Me · Ar Thiophen-2-yl | C17H17N3S | 295.4 | 4.82 | 37.8 | 0 | — | designed | |
| AFN-000932 | A | R1 Et · R2 Me · Ar Thiophen-3-yl | C17H17N3S | 295.4 | 4.82 | 37.8 | 0 | — | designed | |
| AFN-000933 | A | R1 Et · R2 Me · Ar Furan-3-yl | C17H17N3O | 279.3 | 4.35 | 51.0 | 0 | — | designed | |
| AFN-000934 | A | R1 Et · R2 Me · Ar 1-Me-pyrazol-4-yl | C17H19N5 | 293.4 | 3.49 | 55.6 | 0 | — | designed | |
| AFN-000935 | A | R1 Et · R2 Me · Ar 1-Me-indol-3-yl | C22H22N4 | 342.4 | 5.25 | 42.7 | 0 | — | designed | |
| AFN-000936 | A | R1 Et · R2 Me · Ar Naphthalen-2-yl | C23H21N3 | 339.4 | 5.91 | 37.8 | 0 | — | designed | |
| AFN-000937 | A | R1 Et · R2 Me · Ar Pyrimidin-5-yl | C17H17N5 | 291.4 | 3.55 | 63.6 | 0 | — | designed | |
| AFN-000938 | A | R1 Et · R2 Me · Ar Quinolin-3-yl | C22H20N4 | 340.4 | 5.31 | 50.7 | 0 | — | designed | |
| AFN-000939 | A | R1 Et · R2 Me · Ar 6-MeO-pyridin-3-yl | C19H20N4O | 320.4 | 4.16 | 59.9 | 0 | — | designed | |
| AFN-000940 | A | R1 Et · R2 F · Ar Phenyl | C18H16FN3 | 293.3 | 4.59 | 37.8 | 0 | — | designed | |
| AFN-000941 | A | R1 Et · R2 F · Ar Pyridin-3-yl | C17H15FN4 | 294.3 | 3.98 | 50.7 | 0 | — | designed | |
| AFN-000942 | A | R1 Et · R2 F · Ar Pyridin-4-yl | C17H15FN4 | 294.3 | 3.98 | 50.7 | 0 | — | designed | |
| AFN-000943 | A | R1 Et · R2 F · Ar Pyridin-2-yl | C17H15FN4 | 294.3 | 3.98 | 50.7 | 0 | — | designed | |
| AFN-000944 | A | R1 Et · R2 F · Ar 3-F-phenyl | C18H15F2N3 | 311.3 | 4.73 | 37.8 | 0 | — | designed | |
| AFN-000945 | A | R1 Et · R2 F · Ar 4-F-phenyl | C18H15F2N3 | 311.3 | 4.73 | 37.8 | 0 | — | designed | |
| AFN-000946 | A | R1 Et · R2 F · Ar 3-Cl-phenyl | C18H15ClFN3 | 327.8 | 5.24 | 37.8 | 0 | — | designed | |
| AFN-000947 | A | R1 Et · R2 F · Ar 3-MeO-phenyl | C19H18FN3O | 323.4 | 4.60 | 47.0 | 0 | — | designed | |
| AFN-000948 | A | R1 Et · R2 F · Ar 2-MeO-phenyl | C19H18FN3O | 323.4 | 4.60 | 47.0 | 0 | — | designed | |
| AFN-000949 | A | R1 Et · R2 F · Ar 3-CN-phenyl | C19H15FN4 | 318.4 | 4.46 | 61.6 | 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