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-001700 | A | R1 OCF3 · R2 H · Ar Phenyl | C17H12F3N3O | 331.3 | 4.79 | 47.0 | 0 | — | designed | |
| AFN-001701 | A | R1 OCF3 · R2 H · Ar Pyridin-3-yl | C16H11F3N4O | 332.3 | 4.18 | 59.9 | 0 | — | designed | |
| AFN-001702 | A | R1 OCF3 · R2 H · Ar Pyridin-4-yl | C16H11F3N4O | 332.3 | 4.18 | 59.9 | 1 | 7.57 | tested | |
| AFN-001703 | A | R1 OCF3 · R2 H · Ar Pyridin-2-yl | C16H11F3N4O | 332.3 | 4.18 | 59.9 | 0 | — | designed | |
| AFN-001704 | A | R1 OCF3 · R2 H · Ar 3-F-phenyl | C17H11F4N3O | 349.3 | 4.92 | 47.0 | 0 | — | designed | |
| AFN-001705 | A | R1 OCF3 · R2 H · Ar 4-F-phenyl | C17H11F4N3O | 349.3 | 4.92 | 47.0 | 0 | — | designed | |
| AFN-001706 | A | R1 OCF3 · R2 H · Ar 3-Cl-phenyl | C17H11ClF3N3O | 365.7 | 5.44 | 47.0 | 0 | — | designed | |
| AFN-001707 | A | R1 OCF3 · R2 H · Ar 3-MeO-phenyl | C18H14F3N3O2 | 361.3 | 4.79 | 56.3 | 0 | — | designed | |
| AFN-001708 | A | R1 OCF3 · R2 H · Ar 2-MeO-phenyl | C18H14F3N3O2 | 361.3 | 4.79 | 56.3 | 0 | — | designed | |
| AFN-001709 | A | R1 OCF3 · R2 H · Ar 3-CN-phenyl | C18H11F3N4O | 356.3 | 4.66 | 70.8 | 0 | — | designed | |
| AFN-001710 | A | R1 OCF3 · R2 H · Ar 3,5-diF-phenyl | C17H10F5N3O | 367.3 | 5.06 | 47.0 | 0 | — | designed | |
| AFN-001711 | A | R1 OCF3 · R2 H · Ar Thiophen-2-yl | C15H10F3N3OS | 337.3 | 4.85 | 47.0 | 1 | 7.32 | tested | |
| AFN-001712 | A | R1 OCF3 · R2 H · Ar Thiophen-3-yl | C15H10F3N3OS | 337.3 | 4.85 | 47.0 | 0 | — | designed | |
| AFN-001713 | A | R1 OCF3 · R2 H · Ar Furan-3-yl | C15H10F3N3O2 | 321.3 | 4.38 | 60.2 | 0 | — | designed | |
| AFN-001714 | A | R1 OCF3 · R2 H · Ar 1-Me-pyrazol-4-yl | C15H12F3N5O | 335.3 | 3.52 | 64.9 | 0 | — | designed | |
| AFN-001715 | A | R1 OCF3 · R2 H · Ar 1-Me-indol-3-yl | C20H15F3N4O | 384.4 | 5.28 | 52.0 | 0 | — | designed | |
| AFN-001716 | A | R1 OCF3 · R2 H · Ar Naphthalen-2-yl | C21H14F3N3O | 381.4 | 5.94 | 47.0 | 0 | — | designed | |
| AFN-001717 | A | R1 OCF3 · R2 H · Ar Pyrimidin-5-yl | C15H10F3N5O | 333.3 | 3.58 | 72.8 | 0 | — | designed | |
| AFN-001718 | A | R1 OCF3 · R2 H · Ar Quinolin-3-yl | C20H13F3N4O | 382.4 | 5.33 | 59.9 | 0 | — | designed | |
| AFN-001719 | A | R1 OCF3 · R2 H · Ar 6-MeO-pyridin-3-yl | C17H13F3N4O2 | 362.3 | 4.19 | 69.2 | 0 | — | designed | |
| AFN-001720 | A | R1 OCF3 · R2 Me · Ar Phenyl | C18H14F3N3O | 345.3 | 5.09 | 47.0 | 1 | 7.21 | tested | |
| AFN-001721 | A | R1 OCF3 · R2 Me · Ar Pyridin-3-yl | C17H13F3N4O | 346.3 | 4.49 | 59.9 | 0 | — | designed | |
| AFN-001722 | A | R1 OCF3 · R2 Me · Ar Pyridin-4-yl | C17H13F3N4O | 346.3 | 4.49 | 59.9 | 0 | — | designed | |
| AFN-001723 | A | R1 OCF3 · R2 Me · Ar Pyridin-2-yl | C17H13F3N4O | 346.3 | 4.49 | 59.9 | 0 | — | designed | |
| AFN-001724 | A | R1 OCF3 · R2 Me · Ar 3-F-phenyl | C18H13F4N3O | 363.3 | 5.23 | 47.0 | 0 | — | designed | |
| AFN-001725 | A | R1 OCF3 · R2 Me · Ar 4-F-phenyl | C18H13F4N3O | 363.3 | 5.23 | 47.0 | 0 | — | designed | |
| AFN-001726 | A | R1 OCF3 · R2 Me · Ar 3-Cl-phenyl | C18H13ClF3N3O | 379.8 | 5.75 | 47.0 | 0 | — | designed | |
| AFN-001727 | A | R1 OCF3 · R2 Me · Ar 3-MeO-phenyl | C19H16F3N3O2 | 375.4 | 5.10 | 56.3 | 0 | — | designed | |
| AFN-001728 | A | R1 OCF3 · R2 Me · Ar 2-MeO-phenyl | C19H16F3N3O2 | 375.4 | 5.10 | 56.3 | 0 | — | designed | |
| AFN-001729 | A | R1 OCF3 · R2 Me · Ar 3-CN-phenyl | C19H13F3N4O | 370.3 | 4.97 | 70.8 | 0 | — | designed | |
| AFN-001730 | A | R1 OCF3 · R2 Me · Ar 3,5-diF-phenyl | C18H12F5N3O | 381.3 | 5.37 | 47.0 | 0 | — | designed | |
| AFN-001731 | A | R1 OCF3 · R2 Me · Ar Thiophen-2-yl | C16H12F3N3OS | 351.4 | 5.16 | 47.0 | 0 | — | designed | |
| AFN-001732 | A | R1 OCF3 · R2 Me · Ar Thiophen-3-yl | C16H12F3N3OS | 351.4 | 5.16 | 47.0 | 0 | — | designed | |
| AFN-001733 | A | R1 OCF3 · R2 Me · Ar Furan-3-yl | C16H12F3N3O2 | 335.3 | 4.69 | 60.2 | 1 | 7.64 | tested | |
| AFN-001734 | A | R1 OCF3 · R2 Me · Ar 1-Me-pyrazol-4-yl | C16H14F3N5O | 349.3 | 3.83 | 64.9 | 0 | — | designed | |
| AFN-001735 | A | R1 OCF3 · R2 Me · Ar 1-Me-indol-3-yl | C21H17F3N4O | 398.4 | 5.59 | 52.0 | 0 | — | designed | |
| AFN-001736 | A | R1 OCF3 · R2 Me · Ar Naphthalen-2-yl | C22H16F3N3O | 395.4 | 6.25 | 47.0 | 0 | — | designed | |
| AFN-001737 | A | R1 OCF3 · R2 Me · Ar Pyrimidin-5-yl | C16H12F3N5O | 347.3 | 3.88 | 72.8 | 0 | — | designed | |
| AFN-001738 | A | R1 OCF3 · R2 Me · Ar Quinolin-3-yl | C21H15F3N4O | 396.4 | 5.64 | 59.9 | 0 | — | designed | |
| AFN-001739 | A | R1 OCF3 · R2 Me · Ar 6-MeO-pyridin-3-yl | C18H15F3N4O2 | 376.3 | 4.50 | 69.2 | 0 | — | designed | |
| AFN-001740 | A | R1 OCF3 · R2 F · Ar Phenyl | C17H11F4N3O | 349.3 | 4.92 | 47.0 | 0 | — | designed | |
| AFN-001741 | A | R1 OCF3 · R2 F · Ar Pyridin-3-yl | C16H10F4N4O | 350.3 | 4.32 | 59.9 | 1 | — | tested | |
| AFN-001742 | A | R1 OCF3 · R2 F · Ar Pyridin-4-yl | C16H10F4N4O | 350.3 | 4.32 | 59.9 | 0 | — | designed | |
| AFN-001743 | A | R1 OCF3 · R2 F · Ar Pyridin-2-yl | C16H10F4N4O | 350.3 | 4.32 | 59.9 | 0 | — | designed | |
| AFN-001744 | A | R1 OCF3 · R2 F · Ar 3-F-phenyl | C17H10F5N3O | 367.3 | 5.06 | 47.0 | 0 | — | designed | |
| AFN-001745 | A | R1 OCF3 · R2 F · Ar 4-F-phenyl | C17H10F5N3O | 367.3 | 5.06 | 47.0 | 0 | — | designed | |
| AFN-001746 | A | R1 OCF3 · R2 F · Ar 3-Cl-phenyl | C17H10ClF4N3O | 383.7 | 5.58 | 47.0 | 0 | — | designed | |
| AFN-001747 | A | R1 OCF3 · R2 F · Ar 3-MeO-phenyl | C18H13F4N3O2 | 379.3 | 4.93 | 56.3 | 0 | — | designed | |
| AFN-001748 | A | R1 OCF3 · R2 F · Ar 2-MeO-phenyl | C18H13F4N3O2 | 379.3 | 4.93 | 56.3 | 0 | — | designed | |
| AFN-001749 | A | R1 OCF3 · R2 F · Ar 3-CN-phenyl | C18H10F4N4O | 374.3 | 4.80 | 70.8 | 1 | 7.64 | tested |
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