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-001850 | A | R1 OCF3 · R2 OMe · Ar 3,5-diF-phenyl | C18H12F5N3O2 | 397.3 | 5.07 | 56.3 | 1 | 7.54 | tested | |
| AFN-001851 | A | R1 OCF3 · R2 OMe · Ar Thiophen-2-yl | C16H12F3N3O2S | 367.4 | 4.86 | 56.3 | 0 | — | designed | |
| AFN-001852 | A | R1 OCF3 · R2 OMe · Ar Thiophen-3-yl | C16H12F3N3O2S | 367.4 | 4.86 | 56.3 | 0 | — | designed | |
| AFN-001853 | A | R1 OCF3 · R2 OMe · Ar Furan-3-yl | C16H12F3N3O3 | 351.3 | 4.39 | 69.4 | 0 | — | designed | |
| AFN-001854 | A | R1 OCF3 · R2 OMe · Ar 1-Me-pyrazol-4-yl | C16H14F3N5O2 | 365.3 | 3.53 | 74.1 | 0 | — | designed | |
| AFN-001855 | A | R1 OCF3 · R2 OMe · Ar 1-Me-indol-3-yl | C21H17F3N4O2 | 414.4 | 5.29 | 61.2 | 0 | — | designed | |
| AFN-001856 | A | R1 OCF3 · R2 OMe · Ar Naphthalen-2-yl | C22H16F3N3O2 | 411.4 | 5.95 | 56.3 | 0 | — | designed | |
| AFN-001857 | A | R1 OCF3 · R2 OMe · Ar Pyrimidin-5-yl | C16H12F3N5O2 | 363.3 | 3.58 | 82.1 | 0 | — | designed | |
| AFN-001858 | A | R1 OCF3 · R2 OMe · Ar Quinolin-3-yl | C21H15F3N4O2 | 412.4 | 5.34 | 69.2 | 0 | — | designed | |
| AFN-001859 | A | R1 OCF3 · R2 OMe · Ar 6-MeO-pyridin-3-yl | C18H15F3N4O3 | 392.3 | 4.20 | 78.4 | 0 | — | designed | |
| AFN-001860 | A | R1 CN · R2 H · Ar Phenyl | C17H12N4 | 272.3 | 3.76 | 61.6 | 0 | — | designed | |
| AFN-001861 | A | R1 CN · R2 H · Ar Pyridin-3-yl | C16H11N5 | 273.3 | 3.15 | 74.5 | 0 | — | designed | |
| AFN-001862 | A | R1 CN · R2 H · Ar Pyridin-4-yl | C16H11N5 | 273.3 | 3.15 | 74.5 | 0 | — | designed | |
| AFN-001863 | A | R1 CN · R2 H · Ar Pyridin-2-yl | C16H11N5 | 273.3 | 3.15 | 74.5 | 0 | — | designed | |
| AFN-001864 | A | R1 CN · R2 H · Ar 3-F-phenyl | C17H11FN4 | 290.3 | 3.90 | 61.6 | 0 | — | designed | |
| AFN-001865 | A | R1 CN · R2 H · Ar 4-F-phenyl | C17H11FN4 | 290.3 | 3.90 | 61.6 | 0 | — | designed | |
| AFN-001866 | A | R1 CN · R2 H · Ar 3-Cl-phenyl | C17H11ClN4 | 306.8 | 4.41 | 61.6 | 0 | — | designed | |
| AFN-001867 | A | R1 CN · R2 H · Ar 3-MeO-phenyl | C18H14N4O | 302.3 | 3.77 | 70.8 | 0 | — | designed | |
| AFN-001868 | A | R1 CN · R2 H · Ar 2-MeO-phenyl | C18H14N4O | 302.3 | 3.77 | 70.8 | 0 | — | designed | |
| AFN-001869 | A | R1 CN · R2 H · Ar 3-CN-phenyl | C18H11N5 | 297.3 | 3.63 | 85.4 | 0 | — | designed | |
| AFN-001870 | A | R1 CN · R2 H · Ar 3,5-diF-phenyl | C17H10F2N4 | 308.3 | 4.04 | 61.6 | 0 | — | designed | |
| AFN-001871 | A | R1 CN · R2 H · Ar Thiophen-2-yl | C15H10N4S | 278.3 | 3.82 | 61.6 | 0 | — | designed | |
| AFN-001872 | A | R1 CN · R2 H · Ar Thiophen-3-yl | C15H10N4S | 278.3 | 3.82 | 61.6 | 0 | — | designed | |
| AFN-001873 | A | R1 CN · R2 H · Ar Furan-3-yl | C15H10N4O | 262.3 | 3.35 | 74.7 | 0 | — | designed | |
| AFN-001874 | A | R1 CN · R2 H · Ar 1-Me-pyrazol-4-yl | C15H12N6 | 276.3 | 2.49 | 79.4 | 0 | — | designed | |
| AFN-001875 | A | R1 CN · R2 H · Ar 1-Me-indol-3-yl | C20H15N5 | 325.4 | 4.25 | 66.5 | 1 | 8.07 | tested | |
| AFN-001876 | A | R1 CN · R2 H · Ar Naphthalen-2-yl | C21H14N4 | 322.4 | 4.91 | 61.6 | 0 | — | designed | |
| AFN-001877 | A | R1 CN · R2 H · Ar Pyrimidin-5-yl | C15H10N6 | 274.3 | 2.55 | 87.4 | 0 | — | designed | |
| AFN-001878 | A | R1 CN · R2 H · Ar Quinolin-3-yl | C20H13N5 | 323.4 | 4.31 | 74.5 | 0 | — | designed | |
| AFN-001879 | A | R1 CN · R2 H · Ar 6-MeO-pyridin-3-yl | C17H13N5O | 303.3 | 3.16 | 83.7 | 1 | 8.10 | tested | |
| AFN-001880 | A | R1 CN · R2 Me · Ar Phenyl | C18H14N4 | 286.3 | 4.07 | 61.6 | 1 | 7.96 | tested | |
| AFN-001881 | A | R1 CN · R2 Me · Ar Pyridin-3-yl | C17H13N5 | 287.3 | 3.46 | 74.5 | 0 | — | designed | |
| AFN-001882 | A | R1 CN · R2 Me · Ar Pyridin-4-yl | C17H13N5 | 287.3 | 3.46 | 74.5 | 0 | — | designed | |
| AFN-001883 | A | R1 CN · R2 Me · Ar Pyridin-2-yl | C17H13N5 | 287.3 | 3.46 | 74.5 | 0 | — | designed | |
| AFN-001884 | A | R1 CN · R2 Me · Ar 3-F-phenyl | C18H13FN4 | 304.3 | 4.21 | 61.6 | 0 | — | designed | |
| AFN-001885 | A | R1 CN · R2 Me · Ar 4-F-phenyl | C18H13FN4 | 304.3 | 4.21 | 61.6 | 0 | — | designed | |
| AFN-001886 | A | R1 CN · R2 Me · Ar 3-Cl-phenyl | C18H13ClN4 | 320.8 | 4.72 | 61.6 | 0 | — | designed | |
| AFN-001887 | A | R1 CN · R2 Me · Ar 3-MeO-phenyl | C19H16N4O | 316.4 | 4.08 | 70.8 | 0 | — | designed | |
| AFN-001888 | A | R1 CN · R2 Me · Ar 2-MeO-phenyl | C19H16N4O | 316.4 | 4.08 | 70.8 | 0 | — | designed | |
| AFN-001889 | A | R1 CN · R2 Me · Ar 3-CN-phenyl | C19H13N5 | 311.4 | 3.94 | 85.4 | 0 | — | designed | |
| AFN-001890 | A | R1 CN · R2 Me · Ar 3,5-diF-phenyl | C18H12F2N4 | 322.3 | 4.35 | 61.6 | 0 | — | designed | |
| AFN-001891 | A | R1 CN · R2 Me · Ar Thiophen-2-yl | C16H12N4S | 292.4 | 4.13 | 61.6 | 0 | — | designed | |
| AFN-001892 | A | R1 CN · R2 Me · Ar Thiophen-3-yl | C16H12N4S | 292.4 | 4.13 | 61.6 | 0 | — | designed | |
| AFN-001893 | A | R1 CN · R2 Me · Ar Furan-3-yl | C16H12N4O | 276.3 | 3.66 | 74.7 | 0 | — | designed | |
| AFN-001894 | A | R1 CN · R2 Me · Ar 1-Me-pyrazol-4-yl | C16H14N6 | 290.3 | 2.80 | 79.4 | 0 | — | designed | |
| AFN-001895 | A | R1 CN · R2 Me · Ar 1-Me-indol-3-yl | C21H17N5 | 339.4 | 4.56 | 66.5 | 0 | — | designed | |
| AFN-001896 | A | R1 CN · R2 Me · Ar Naphthalen-2-yl | C22H16N4 | 336.4 | 5.22 | 61.6 | 0 | — | designed | |
| AFN-001897 | A | R1 CN · R2 Me · Ar Pyrimidin-5-yl | C16H12N6 | 288.3 | 2.86 | 87.4 | 0 | — | designed | |
| AFN-001898 | A | R1 CN · R2 Me · Ar Quinolin-3-yl | C21H15N5 | 337.4 | 4.62 | 74.5 | 0 | — | designed | |
| AFN-001899 | A | R1 CN · R2 Me · Ar 6-MeO-pyridin-3-yl | C18H15N5O | 317.4 | 3.47 | 83.7 | 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