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-001800 | A | R1 OCF3 · R2 CF3 · Ar Phenyl | C18H11F6N3O | 399.3 | 5.80 | 47.0 | 0 | — | designed | |
| AFN-001801 | A | R1 OCF3 · R2 CF3 · Ar Pyridin-3-yl | C17H10F6N4O | 400.3 | 5.20 | 59.9 | 0 | — | designed | |
| AFN-001802 | A | R1 OCF3 · R2 CF3 · Ar Pyridin-4-yl | C17H10F6N4O | 400.3 | 5.20 | 59.9 | 1 | 7.03 | tested | |
| AFN-001803 | A | R1 OCF3 · R2 CF3 · Ar Pyridin-2-yl | C17H10F6N4O | 400.3 | 5.20 | 59.9 | 0 | — | designed | |
| AFN-001804 | A | R1 OCF3 · R2 CF3 · Ar 3-F-phenyl | C18H10F7N3O | 417.3 | 5.94 | 47.0 | 0 | — | designed | |
| AFN-001805 | A | R1 OCF3 · R2 CF3 · Ar 4-F-phenyl | C18H10F7N3O | 417.3 | 5.94 | 47.0 | 0 | — | designed | |
| AFN-001806 | A | R1 OCF3 · R2 CF3 · Ar 3-Cl-phenyl | C18H10ClF6N3O | 433.7 | 6.46 | 47.0 | 0 | — | designed | |
| AFN-001807 | A | R1 OCF3 · R2 CF3 · Ar 3-MeO-phenyl | C19H13F6N3O2 | 429.3 | 5.81 | 56.3 | 0 | — | designed | |
| AFN-001808 | A | R1 OCF3 · R2 CF3 · Ar 2-MeO-phenyl | C19H13F6N3O2 | 429.3 | 5.81 | 56.3 | 0 | — | designed | |
| AFN-001809 | A | R1 OCF3 · R2 CF3 · Ar 3-CN-phenyl | C19H10F6N4O | 424.3 | 5.68 | 70.8 | 0 | — | designed | |
| AFN-001810 | A | R1 OCF3 · R2 CF3 · Ar 3,5-diF-phenyl | C18H9F8N3O | 435.3 | 6.08 | 47.0 | 0 | — | designed | |
| AFN-001811 | A | R1 OCF3 · R2 CF3 · Ar Thiophen-2-yl | C16H9F6N3OS | 405.3 | 5.87 | 47.0 | 0 | — | designed | |
| AFN-001812 | A | R1 OCF3 · R2 CF3 · Ar Thiophen-3-yl | C16H9F6N3OS | 405.3 | 5.87 | 47.0 | 0 | — | designed | |
| AFN-001813 | A | R1 OCF3 · R2 CF3 · Ar Furan-3-yl | C16H9F6N3O2 | 389.3 | 5.40 | 60.2 | 1 | 6.99 | tested | |
| AFN-001814 | A | R1 OCF3 · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C16H11F6N5O | 403.3 | 4.54 | 64.9 | 0 | — | designed | |
| AFN-001815 | A | R1 OCF3 · R2 CF3 · Ar 1-Me-indol-3-yl | C21H14F6N4O | 452.4 | 6.30 | 52.0 | 0 | — | designed | |
| AFN-001816 | A | R1 OCF3 · R2 CF3 · Ar Naphthalen-2-yl | C22H13F6N3O | 449.4 | 6.96 | 47.0 | 0 | — | designed | |
| AFN-001817 | A | R1 OCF3 · R2 CF3 · Ar Pyrimidin-5-yl | C16H9F6N5O | 401.3 | 4.59 | 72.8 | 0 | — | designed | |
| AFN-001818 | A | R1 OCF3 · R2 CF3 · Ar Quinolin-3-yl | C21H12F6N4O | 450.3 | 6.35 | 59.9 | 0 | — | designed | |
| AFN-001819 | A | R1 OCF3 · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C18H12F6N4O2 | 430.3 | 5.21 | 69.2 | 0 | — | designed | |
| AFN-001820 | A | R1 OCF3 · R2 CN · Ar Phenyl | C18H11F3N4O | 356.3 | 4.66 | 70.8 | 0 | — | designed | |
| AFN-001821 | A | R1 OCF3 · R2 CN · Ar Pyridin-3-yl | C17H10F3N5O | 357.3 | 4.05 | 83.7 | 1 | 7.94 | tested | |
| AFN-001822 | A | R1 OCF3 · R2 CN · Ar Pyridin-4-yl | C17H10F3N5O | 357.3 | 4.05 | 83.7 | 0 | — | designed | |
| AFN-001823 | A | R1 OCF3 · R2 CN · Ar Pyridin-2-yl | C17H10F3N5O | 357.3 | 4.05 | 83.7 | 0 | — | designed | |
| AFN-001824 | A | R1 OCF3 · R2 CN · Ar 3-F-phenyl | C18H10F4N4O | 374.3 | 4.80 | 70.8 | 0 | — | designed | |
| AFN-001825 | A | R1 OCF3 · R2 CN · Ar 4-F-phenyl | C18H10F4N4O | 374.3 | 4.80 | 70.8 | 1 | 7.30 | tested | |
| AFN-001826 | A | R1 OCF3 · R2 CN · Ar 3-Cl-phenyl | C18H10ClF3N4O | 390.8 | 5.31 | 70.8 | 0 | — | designed | |
| AFN-001827 | A | R1 OCF3 · R2 CN · Ar 3-MeO-phenyl | C19H13F3N4O2 | 386.3 | 4.67 | 80.1 | 0 | — | designed | |
| AFN-001828 | A | R1 OCF3 · R2 CN · Ar 2-MeO-phenyl | C19H13F3N4O2 | 386.3 | 4.67 | 80.1 | 0 | — | designed | |
| AFN-001829 | A | R1 OCF3 · R2 CN · Ar 3-CN-phenyl | C19H10F3N5O | 381.3 | 4.53 | 94.6 | 0 | — | designed | |
| AFN-001830 | A | R1 OCF3 · R2 CN · Ar 3,5-diF-phenyl | C18H9F5N4O | 392.3 | 4.94 | 70.8 | 1 | 7.54 | tested | |
| AFN-001831 | A | R1 OCF3 · R2 CN · Ar Thiophen-2-yl | C16H9F3N4OS | 362.3 | 4.72 | 70.8 | 0 | — | designed | |
| AFN-001832 | A | R1 OCF3 · R2 CN · Ar Thiophen-3-yl | C16H9F3N4OS | 362.3 | 4.72 | 70.8 | 0 | — | designed | |
| AFN-001833 | A | R1 OCF3 · R2 CN · Ar Furan-3-yl | C16H9F3N4O2 | 346.3 | 4.25 | 84.0 | 0 | — | designed | |
| AFN-001834 | A | R1 OCF3 · R2 CN · Ar 1-Me-pyrazol-4-yl | C16H11F3N6O | 360.3 | 3.39 | 88.7 | 0 | — | designed | |
| AFN-001835 | A | R1 OCF3 · R2 CN · Ar 1-Me-indol-3-yl | C21H14F3N5O | 409.4 | 5.15 | 75.8 | 0 | — | designed | |
| AFN-001836 | A | R1 OCF3 · R2 CN · Ar Naphthalen-2-yl | C22H13F3N4O | 406.4 | 5.81 | 70.8 | 0 | — | designed | |
| AFN-001837 | A | R1 OCF3 · R2 CN · Ar Pyrimidin-5-yl | C16H9F3N6O | 358.3 | 3.45 | 96.6 | 0 | — | designed | |
| AFN-001838 | A | R1 OCF3 · R2 CN · Ar Quinolin-3-yl | C21H12F3N5O | 407.4 | 5.21 | 83.7 | 1 | 7.96 | tested | |
| AFN-001839 | A | R1 OCF3 · R2 CN · Ar 6-MeO-pyridin-3-yl | C18H12F3N5O2 | 387.3 | 4.06 | 93.0 | 0 | — | designed | |
| AFN-001840 | A | R1 OCF3 · R2 OMe · Ar Phenyl | C18H14F3N3O2 | 361.3 | 4.79 | 56.3 | 0 | — | designed | |
| AFN-001841 | A | R1 OCF3 · R2 OMe · Ar Pyridin-3-yl | C17H13F3N4O2 | 362.3 | 4.19 | 69.2 | 1 | — | tested | |
| AFN-001842 | A | R1 OCF3 · R2 OMe · Ar Pyridin-4-yl | C17H13F3N4O2 | 362.3 | 4.19 | 69.2 | 1 | 7.60 | tested | |
| AFN-001843 | A | R1 OCF3 · R2 OMe · Ar Pyridin-2-yl | C17H13F3N4O2 | 362.3 | 4.19 | 69.2 | 0 | — | designed | |
| AFN-001844 | A | R1 OCF3 · R2 OMe · Ar 3-F-phenyl | C18H13F4N3O2 | 379.3 | 4.93 | 56.3 | 0 | — | designed | |
| AFN-001845 | A | R1 OCF3 · R2 OMe · Ar 4-F-phenyl | C18H13F4N3O2 | 379.3 | 4.93 | 56.3 | 0 | — | designed | |
| AFN-001846 | A | R1 OCF3 · R2 OMe · Ar 3-Cl-phenyl | C18H13ClF3N3O2 | 395.8 | 5.45 | 56.3 | 0 | — | designed | |
| AFN-001847 | A | R1 OCF3 · R2 OMe · Ar 3-MeO-phenyl | C19H16F3N3O3 | 391.4 | 4.80 | 65.5 | 0 | — | designed | |
| AFN-001848 | A | R1 OCF3 · R2 OMe · Ar 2-MeO-phenyl | C19H16F3N3O3 | 391.4 | 4.80 | 65.5 | 0 | — | designed | |
| AFN-001849 | A | R1 OCF3 · R2 OMe · Ar 3-CN-phenyl | C19H13F3N4O2 | 386.3 | 4.67 | 80.1 | 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