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-001750 | A | R1 OCF3 · R2 F · Ar 3,5-diF-phenyl | C17H9F6N3O | 385.3 | 5.20 | 47.0 | 0 | — | designed | |
| AFN-001751 | A | R1 OCF3 · R2 F · Ar Thiophen-2-yl | C15H9F4N3OS | 355.3 | 4.99 | 47.0 | 0 | — | designed | |
| AFN-001752 | A | R1 OCF3 · R2 F · Ar Thiophen-3-yl | C15H9F4N3OS | 355.3 | 4.99 | 47.0 | 0 | — | designed | |
| AFN-001753 | A | R1 OCF3 · R2 F · Ar Furan-3-yl | C15H9F4N3O2 | 339.3 | 4.52 | 60.2 | 0 | — | designed | |
| AFN-001754 | A | R1 OCF3 · R2 F · Ar 1-Me-pyrazol-4-yl | C15H11F4N5O | 353.3 | 3.66 | 64.9 | 0 | — | designed | |
| AFN-001755 | A | R1 OCF3 · R2 F · Ar 1-Me-indol-3-yl | C20H14F4N4O | 402.4 | 5.42 | 52.0 | 0 | — | designed | |
| AFN-001756 | A | R1 OCF3 · R2 F · Ar Naphthalen-2-yl | C21H13F4N3O | 399.4 | 6.08 | 47.0 | 0 | — | designed | |
| AFN-001757 | A | R1 OCF3 · R2 F · Ar Pyrimidin-5-yl | C15H9F4N5O | 351.3 | 3.71 | 72.8 | 1 | 7.68 | tested | |
| AFN-001758 | A | R1 OCF3 · R2 F · Ar Quinolin-3-yl | C20H12F4N4O | 400.3 | 5.47 | 59.9 | 1 | 7.78 | tested | |
| AFN-001759 | A | R1 OCF3 · R2 F · Ar 6-MeO-pyridin-3-yl | C17H12F4N4O2 | 380.3 | 4.33 | 69.2 | 0 | — | designed | |
| AFN-001760 | A | R1 OCF3 · R2 Cl · Ar Phenyl | C17H11ClF3N3O | 365.7 | 5.44 | 47.0 | 0 | — | designed | |
| AFN-001761 | A | R1 OCF3 · R2 Cl · Ar Pyridin-3-yl | C16H10ClF3N4O | 366.7 | 4.83 | 59.9 | 0 | — | designed | |
| AFN-001762 | A | R1 OCF3 · R2 Cl · Ar Pyridin-4-yl | C16H10ClF3N4O | 366.7 | 4.83 | 59.9 | 0 | — | designed | |
| AFN-001763 | A | R1 OCF3 · R2 Cl · Ar Pyridin-2-yl | C16H10ClF3N4O | 366.7 | 4.83 | 59.9 | 1 | 7.19 | tested | |
| AFN-001764 | A | R1 OCF3 · R2 Cl · Ar 3-F-phenyl | C17H10ClF4N3O | 383.7 | 5.58 | 47.0 | 0 | — | designed | |
| AFN-001765 | A | R1 OCF3 · R2 Cl · Ar 4-F-phenyl | C17H10ClF4N3O | 383.7 | 5.58 | 47.0 | 0 | — | designed | |
| AFN-001766 | A | R1 OCF3 · R2 Cl · Ar 3-Cl-phenyl | C17H10Cl2F3N3O | 400.2 | 6.09 | 47.0 | 0 | — | designed | |
| AFN-001767 | A | R1 OCF3 · R2 Cl · Ar 3-MeO-phenyl | C18H13ClF3N3O2 | 395.8 | 5.45 | 56.3 | 0 | — | designed | |
| AFN-001768 | A | R1 OCF3 · R2 Cl · Ar 2-MeO-phenyl | C18H13ClF3N3O2 | 395.8 | 5.45 | 56.3 | 0 | — | designed | |
| AFN-001769 | A | R1 OCF3 · R2 Cl · Ar 3-CN-phenyl | C18H10ClF3N4O | 390.8 | 5.31 | 70.8 | 0 | — | designed | |
| AFN-001770 | A | R1 OCF3 · R2 Cl · Ar 3,5-diF-phenyl | C17H9ClF5N3O | 401.7 | 5.72 | 47.0 | 0 | — | designed | |
| AFN-001771 | A | R1 OCF3 · R2 Cl · Ar Thiophen-2-yl | C15H9ClF3N3OS | 371.8 | 5.50 | 47.0 | 0 | — | designed | |
| AFN-001772 | A | R1 OCF3 · R2 Cl · Ar Thiophen-3-yl | C15H9ClF3N3OS | 371.8 | 5.50 | 47.0 | 0 | — | designed | |
| AFN-001773 | A | R1 OCF3 · R2 Cl · Ar Furan-3-yl | C15H9ClF3N3O2 | 355.7 | 5.03 | 60.2 | 1 | 7.59 | tested | |
| AFN-001774 | A | R1 OCF3 · R2 Cl · Ar 1-Me-pyrazol-4-yl | C15H11ClF3N5O | 369.7 | 4.17 | 64.9 | 0 | — | designed | |
| AFN-001775 | A | R1 OCF3 · R2 Cl · Ar 1-Me-indol-3-yl | C20H14ClF3N4O | 418.8 | 5.93 | 52.0 | 0 | — | designed | |
| AFN-001776 | A | R1 OCF3 · R2 Cl · Ar Naphthalen-2-yl | C21H13ClF3N3O | 415.8 | 6.59 | 47.0 | 0 | — | designed | |
| AFN-001777 | A | R1 OCF3 · R2 Cl · Ar Pyrimidin-5-yl | C15H9ClF3N5O | 367.7 | 4.23 | 72.8 | 0 | — | designed | |
| AFN-001778 | A | R1 OCF3 · R2 Cl · Ar Quinolin-3-yl | C20H12ClF3N4O | 416.8 | 5.99 | 59.9 | 0 | — | designed | |
| AFN-001779 | A | R1 OCF3 · R2 Cl · Ar 6-MeO-pyridin-3-yl | C17H12ClF3N4O2 | 396.8 | 4.84 | 69.2 | 0 | — | designed | |
| AFN-001780 | A | R1 OCF3 · R2 Br · Ar Phenyl | C17H11BrF3N3O | 410.2 | 5.55 | 47.0 | 0 | — | designed | |
| AFN-001781 | A | R1 OCF3 · R2 Br · Ar Pyridin-3-yl | C16H10BrF3N4O | 411.2 | 4.94 | 59.9 | 1 | 8.01 | tested | |
| AFN-001782 | A | R1 OCF3 · R2 Br · Ar Pyridin-4-yl | C16H10BrF3N4O | 411.2 | 4.94 | 59.9 | 1 | 7.47 | tested | |
| AFN-001783 | A | R1 OCF3 · R2 Br · Ar Pyridin-2-yl | C16H10BrF3N4O | 411.2 | 4.94 | 59.9 | 0 | — | designed | |
| AFN-001784 | A | R1 OCF3 · R2 Br · Ar 3-F-phenyl | C17H10BrF4N3O | 428.2 | 5.69 | 47.0 | 0 | — | designed | |
| AFN-001785 | A | R1 OCF3 · R2 Br · Ar 4-F-phenyl | C17H10BrF4N3O | 428.2 | 5.69 | 47.0 | 0 | — | designed | |
| AFN-001786 | A | R1 OCF3 · R2 Br · Ar 3-Cl-phenyl | C17H10BrClF3N3O | 444.6 | 6.20 | 47.0 | 0 | — | designed | |
| AFN-001787 | A | R1 OCF3 · R2 Br · Ar 3-MeO-phenyl | C18H13BrF3N3O2 | 440.2 | 5.56 | 56.3 | 0 | — | designed | |
| AFN-001788 | A | R1 OCF3 · R2 Br · Ar 2-MeO-phenyl | C18H13BrF3N3O2 | 440.2 | 5.56 | 56.3 | 0 | — | designed | |
| AFN-001789 | A | R1 OCF3 · R2 Br · Ar 3-CN-phenyl | C18H10BrF3N4O | 435.2 | 5.42 | 70.8 | 0 | — | designed | |
| AFN-001790 | A | R1 OCF3 · R2 Br · Ar 3,5-diF-phenyl | C17H9BrF5N3O | 446.2 | 5.83 | 47.0 | 0 | — | designed | |
| AFN-001791 | A | R1 OCF3 · R2 Br · Ar Thiophen-2-yl | C15H9BrF3N3OS | 416.2 | 5.61 | 47.0 | 0 | — | designed | |
| AFN-001792 | A | R1 OCF3 · R2 Br · Ar Thiophen-3-yl | C15H9BrF3N3OS | 416.2 | 5.61 | 47.0 | 0 | — | designed | |
| AFN-001793 | A | R1 OCF3 · R2 Br · Ar Furan-3-yl | C15H9BrF3N3O2 | 400.1 | 5.14 | 60.2 | 0 | — | designed | |
| AFN-001794 | A | R1 OCF3 · R2 Br · Ar 1-Me-pyrazol-4-yl | C15H11BrF3N5O | 414.2 | 4.28 | 64.9 | 1 | 7.63 | tested | |
| AFN-001795 | A | R1 OCF3 · R2 Br · Ar 1-Me-indol-3-yl | C20H14BrF3N4O | 463.3 | 6.04 | 52.0 | 0 | — | designed | |
| AFN-001796 | A | R1 OCF3 · R2 Br · Ar Naphthalen-2-yl | C21H13BrF3N3O | 460.3 | 6.70 | 47.0 | 0 | — | designed | |
| AFN-001797 | A | R1 OCF3 · R2 Br · Ar Pyrimidin-5-yl | C15H9BrF3N5O | 412.2 | 4.34 | 72.8 | 0 | — | designed | |
| AFN-001798 | A | R1 OCF3 · R2 Br · Ar Quinolin-3-yl | C20H12BrF3N4O | 461.2 | 6.10 | 59.9 | 0 | — | designed | |
| AFN-001799 | A | R1 OCF3 · R2 Br · Ar 6-MeO-pyridin-3-yl | C17H12BrF3N4O2 | 441.2 | 4.95 | 69.2 | 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