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-002750 | A | R1 CONH2 · R2 Br · Ar 3,5-diF-phenyl | C17H11BrF2N4O | 405.2 | 4.03 | 80.9 | 0 | — | designed | |
| AFN-002751 | A | R1 CONH2 · R2 Br · Ar Thiophen-2-yl | C15H11BrN4OS | 375.3 | 3.81 | 80.9 | 0 | — | designed | |
| AFN-002752 | A | R1 CONH2 · R2 Br · Ar Thiophen-3-yl | C15H11BrN4OS | 375.3 | 3.81 | 80.9 | 0 | — | designed | |
| AFN-002753 | A | R1 CONH2 · R2 Br · Ar Furan-3-yl | C15H11BrN4O2 | 359.2 | 3.34 | 94.0 | 0 | — | designed | |
| AFN-002754 | A | R1 CONH2 · R2 Br · Ar 1-Me-pyrazol-4-yl | C15H13BrN6O | 373.2 | 2.48 | 98.7 | 0 | — | designed | |
| AFN-002755 | A | R1 CONH2 · R2 Br · Ar 1-Me-indol-3-yl | C20H16BrN5O | 422.3 | 4.24 | 85.8 | 0 | — | designed | |
| AFN-002756 | A | R1 CONH2 · R2 Br · Ar Naphthalen-2-yl | C21H15BrN4O | 419.3 | 4.90 | 80.9 | 1 | 6.73 | tested | |
| AFN-002757 | A | R1 CONH2 · R2 Br · Ar Pyrimidin-5-yl | C15H11BrN6O | 371.2 | 2.54 | 106.7 | 1 | 7.31 | tested | |
| AFN-002758 | A | R1 CONH2 · R2 Br · Ar Quinolin-3-yl | C20H14BrN5O | 420.3 | 4.30 | 93.8 | 0 | — | designed | |
| AFN-002759 | A | R1 CONH2 · R2 Br · Ar 6-MeO-pyridin-3-yl | C17H14BrN5O2 | 400.2 | 3.15 | 103.0 | 0 | — | designed | |
| AFN-002760 | A | R1 CONH2 · R2 CF3 · Ar Phenyl | C18H13F3N4O | 358.3 | 4.00 | 80.9 | 0 | — | designed | |
| AFN-002761 | A | R1 CONH2 · R2 CF3 · Ar Pyridin-3-yl | C17H12F3N5O | 359.3 | 3.40 | 93.8 | 0 | — | designed | |
| AFN-002762 | A | R1 CONH2 · R2 CF3 · Ar Pyridin-4-yl | C17H12F3N5O | 359.3 | 3.40 | 93.8 | 0 | — | designed | |
| AFN-002763 | A | R1 CONH2 · R2 CF3 · Ar Pyridin-2-yl | C17H12F3N5O | 359.3 | 3.40 | 93.8 | 1 | 6.50 | tested | |
| AFN-002764 | A | R1 CONH2 · R2 CF3 · Ar 3-F-phenyl | C18H12F4N4O | 376.3 | 4.14 | 80.9 | 0 | — | designed | |
| AFN-002765 | A | R1 CONH2 · R2 CF3 · Ar 4-F-phenyl | C18H12F4N4O | 376.3 | 4.14 | 80.9 | 0 | — | designed | |
| AFN-002766 | A | R1 CONH2 · R2 CF3 · Ar 3-Cl-phenyl | C18H12ClF3N4O | 392.8 | 4.66 | 80.9 | 0 | — | designed | |
| AFN-002767 | A | R1 CONH2 · R2 CF3 · Ar 3-MeO-phenyl | C19H15F3N4O2 | 388.4 | 4.01 | 90.1 | 0 | — | designed | |
| AFN-002768 | A | R1 CONH2 · R2 CF3 · Ar 2-MeO-phenyl | C19H15F3N4O2 | 388.4 | 4.01 | 90.1 | 0 | — | designed | |
| AFN-002769 | A | R1 CONH2 · R2 CF3 · Ar 3-CN-phenyl | C19H12F3N5O | 383.3 | 3.88 | 104.7 | 0 | — | designed | |
| AFN-002770 | A | R1 CONH2 · R2 CF3 · Ar 3,5-diF-phenyl | C18H11F5N4O | 394.3 | 4.28 | 80.9 | 0 | — | designed | |
| AFN-002771 | A | R1 CONH2 · R2 CF3 · Ar Thiophen-2-yl | C16H11F3N4OS | 364.4 | 4.07 | 80.9 | 0 | — | designed | |
| AFN-002772 | A | R1 CONH2 · R2 CF3 · Ar Thiophen-3-yl | C16H11F3N4OS | 364.4 | 4.07 | 80.9 | 0 | — | designed | |
| AFN-002773 | A | R1 CONH2 · R2 CF3 · Ar Furan-3-yl | C16H11F3N4O2 | 348.3 | 3.60 | 94.0 | 0 | — | designed | |
| AFN-002774 | A | R1 CONH2 · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C16H13F3N6O | 362.3 | 2.74 | 98.7 | 0 | — | designed | |
| AFN-002775 | A | R1 CONH2 · R2 CF3 · Ar 1-Me-indol-3-yl | C21H16F3N5O | 411.4 | 4.50 | 85.8 | 0 | — | designed | |
| AFN-002776 | A | R1 CONH2 · R2 CF3 · Ar Naphthalen-2-yl | C22H15F3N4O | 408.4 | 5.16 | 80.9 | 0 | — | designed | |
| AFN-002777 | A | R1 CONH2 · R2 CF3 · Ar Pyrimidin-5-yl | C16H11F3N6O | 360.3 | 2.79 | 106.7 | 0 | — | designed | |
| AFN-002778 | A | R1 CONH2 · R2 CF3 · Ar Quinolin-3-yl | C21H14F3N5O | 409.4 | 4.55 | 93.8 | 0 | — | designed | |
| AFN-002779 | A | R1 CONH2 · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C18H14F3N5O2 | 389.3 | 3.41 | 103.0 | 1 | 7.02 | tested | |
| AFN-002780 | A | R1 CONH2 · R2 CN · Ar Phenyl | C18H13N5O | 315.3 | 2.86 | 104.7 | 0 | — | designed | |
| AFN-002781 | A | R1 CONH2 · R2 CN · Ar Pyridin-3-yl | C17H12N6O | 316.3 | 2.25 | 117.6 | 0 | — | designed | |
| AFN-002782 | A | R1 CONH2 · R2 CN · Ar Pyridin-4-yl | C17H12N6O | 316.3 | 2.25 | 117.6 | 0 | — | designed | |
| AFN-002783 | A | R1 CONH2 · R2 CN · Ar Pyridin-2-yl | C17H12N6O | 316.3 | 2.25 | 117.6 | 0 | — | designed | |
| AFN-002784 | A | R1 CONH2 · R2 CN · Ar 3-F-phenyl | C18H12FN5O | 333.3 | 3.00 | 104.7 | 0 | — | designed | |
| AFN-002785 | A | R1 CONH2 · R2 CN · Ar 4-F-phenyl | C18H12FN5O | 333.3 | 3.00 | 104.7 | 0 | — | designed | |
| AFN-002786 | A | R1 CONH2 · R2 CN · Ar 3-Cl-phenyl | C18H12ClN5O | 349.8 | 3.51 | 104.7 | 0 | — | designed | |
| AFN-002787 | A | R1 CONH2 · R2 CN · Ar 3-MeO-phenyl | C19H15N5O2 | 345.4 | 2.87 | 113.9 | 1 | 7.16 | tested | |
| AFN-002788 | A | R1 CONH2 · R2 CN · Ar 2-MeO-phenyl | C19H15N5O2 | 345.4 | 2.87 | 113.9 | 0 | — | designed | |
| AFN-002789 | A | R1 CONH2 · R2 CN · Ar 3-CN-phenyl | C19H12N6O | 340.4 | 2.73 | 128.5 | 0 | — | designed | |
| AFN-002790 | A | R1 CONH2 · R2 CN · Ar 3,5-diF-phenyl | C18H11F2N5O | 351.3 | 3.14 | 104.7 | 1 | 7.19 | tested | |
| AFN-002791 | A | R1 CONH2 · R2 CN · Ar Thiophen-2-yl | C16H11N5OS | 321.4 | 2.92 | 104.7 | 0 | — | designed | |
| AFN-002792 | A | R1 CONH2 · R2 CN · Ar Thiophen-3-yl | C16H11N5OS | 321.4 | 2.92 | 104.7 | 0 | — | designed | |
| AFN-002793 | A | R1 CONH2 · R2 CN · Ar Furan-3-yl | C16H11N5O2 | 305.3 | 2.45 | 117.8 | 0 | — | designed | |
| AFN-002794 | A | R1 CONH2 · R2 CN · Ar 1-Me-pyrazol-4-yl | C16H13N7O | 319.3 | 1.59 | 122.5 | 0 | — | designed | |
| AFN-002795 | A | R1 CONH2 · R2 CN · Ar 1-Me-indol-3-yl | C21H16N6O | 368.4 | 3.35 | 109.6 | 1 | 7.27 | tested | |
| AFN-002796 | A | R1 CONH2 · R2 CN · Ar Naphthalen-2-yl | C22H15N5O | 365.4 | 4.01 | 104.7 | 0 | — | designed | |
| AFN-002797 | A | R1 CONH2 · R2 CN · Ar Pyrimidin-5-yl | C16H11N7O | 317.3 | 1.65 | 130.5 | 0 | — | designed | |
| AFN-002798 | A | R1 CONH2 · R2 CN · Ar Quinolin-3-yl | C21H14N6O | 366.4 | 3.41 | 117.6 | 1 | 7.20 | tested | |
| AFN-002799 | A | R1 CONH2 · R2 CN · Ar 6-MeO-pyridin-3-yl | C18H14N6O2 | 346.4 | 2.26 | 126.8 | 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