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-000350 | A | R1 F · R2 Br · Ar 3,5-diF-phenyl | C16H9BrF3N3 | 380.2 | 5.07 | 37.8 | 0 | — | designed | |
| AFN-000351 | A | R1 F · R2 Br · Ar Thiophen-2-yl | C14H9BrFN3S | 350.2 | 4.85 | 37.8 | 0 | — | designed | |
| AFN-000352 | A | R1 F · R2 Br · Ar Thiophen-3-yl | C14H9BrFN3S | 350.2 | 4.85 | 37.8 | 0 | — | designed | |
| AFN-000353 | A | R1 F · R2 Br · Ar Furan-3-yl | C14H9BrFN3O | 334.1 | 4.38 | 51.0 | 0 | — | designed | |
| AFN-000354 | A | R1 F · R2 Br · Ar 1-Me-pyrazol-4-yl | C14H11BrFN5 | 348.2 | 3.52 | 55.6 | 0 | — | designed | |
| AFN-000355 | A | R1 F · R2 Br · Ar 1-Me-indol-3-yl | C19H14BrFN4 | 397.3 | 5.28 | 42.7 | 0 | — | designed | |
| AFN-000356 | A | R1 F · R2 Br · Ar Naphthalen-2-yl | C20H13BrFN3 | 394.3 | 5.94 | 37.8 | 0 | — | designed | |
| AFN-000357 | A | R1 F · R2 Br · Ar Pyrimidin-5-yl | C14H9BrFN5 | 346.2 | 3.58 | 63.6 | 0 | — | designed | |
| AFN-000358 | A | R1 F · R2 Br · Ar Quinolin-3-yl | C19H12BrFN4 | 395.2 | 5.34 | 50.7 | 1 | 7.42 | tested | |
| AFN-000359 | A | R1 F · R2 Br · Ar 6-MeO-pyridin-3-yl | C16H12BrFN4O | 375.2 | 4.19 | 59.9 | 0 | — | designed | |
| AFN-000360 | A | R1 F · R2 CF3 · Ar Phenyl | C17H11F4N3 | 333.3 | 5.05 | 37.8 | 0 | — | designed | |
| AFN-000361 | A | R1 F · R2 CF3 · Ar Pyridin-3-yl | C16H10F4N4 | 334.3 | 4.44 | 50.7 | 0 | — | designed | |
| AFN-000362 | A | R1 F · R2 CF3 · Ar Pyridin-4-yl | C16H10F4N4 | 334.3 | 4.44 | 50.7 | 0 | — | designed | |
| AFN-000363 | A | R1 F · R2 CF3 · Ar Pyridin-2-yl | C16H10F4N4 | 334.3 | 4.44 | 50.7 | 0 | — | designed | |
| AFN-000364 | A | R1 F · R2 CF3 · Ar 3-F-phenyl | C17H10F5N3 | 351.3 | 5.18 | 37.8 | 0 | — | designed | |
| AFN-000365 | A | R1 F · R2 CF3 · Ar 4-F-phenyl | C17H10F5N3 | 351.3 | 5.18 | 37.8 | 0 | — | designed | |
| AFN-000366 | A | R1 F · R2 CF3 · Ar 3-Cl-phenyl | C17H10ClF4N3 | 367.7 | 5.70 | 37.8 | 0 | — | designed | |
| AFN-000367 | A | R1 F · R2 CF3 · Ar 3-MeO-phenyl | C18H13F4N3O | 363.3 | 5.05 | 47.0 | 0 | — | designed | |
| AFN-000368 | A | R1 F · R2 CF3 · Ar 2-MeO-phenyl | C18H13F4N3O | 363.3 | 5.05 | 47.0 | 0 | — | designed | |
| AFN-000369 | A | R1 F · R2 CF3 · Ar 3-CN-phenyl | C18H10F4N4 | 358.3 | 4.92 | 61.6 | 0 | — | designed | |
| AFN-000370 | A | R1 F · R2 CF3 · Ar 3,5-diF-phenyl | C17H9F6N3 | 369.3 | 5.32 | 37.8 | 1 | 6.86 | tested | |
| AFN-000371 | A | R1 F · R2 CF3 · Ar Thiophen-2-yl | C15H9F4N3S | 339.3 | 5.11 | 37.8 | 0 | — | designed | |
| AFN-000372 | A | R1 F · R2 CF3 · Ar Thiophen-3-yl | C15H9F4N3S | 339.3 | 5.11 | 37.8 | 0 | — | designed | |
| AFN-000373 | A | R1 F · R2 CF3 · Ar Furan-3-yl | C15H9F4N3O | 323.3 | 4.64 | 51.0 | 0 | — | designed | |
| AFN-000374 | A | R1 F · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C15H11F4N5 | 337.3 | 3.78 | 55.6 | 0 | — | designed | |
| AFN-000375 | A | R1 F · R2 CF3 · Ar 1-Me-indol-3-yl | C20H14F4N4 | 386.4 | 5.54 | 42.7 | 0 | — | designed | |
| AFN-000376 | A | R1 F · R2 CF3 · Ar Naphthalen-2-yl | C21H13F4N3 | 383.4 | 6.20 | 37.8 | 0 | — | designed | |
| AFN-000377 | A | R1 F · R2 CF3 · Ar Pyrimidin-5-yl | C15H9F4N5 | 335.3 | 3.84 | 63.6 | 0 | — | designed | |
| AFN-000378 | A | R1 F · R2 CF3 · Ar Quinolin-3-yl | C20H12F4N4 | 384.3 | 5.59 | 50.7 | 0 | — | designed | |
| AFN-000379 | A | R1 F · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C17H12F4N4O | 364.3 | 4.45 | 59.9 | 0 | — | designed | |
| AFN-000380 | A | R1 F · R2 CN · Ar Phenyl | C17H11FN4 | 290.3 | 3.90 | 61.6 | 0 | — | designed | |
| AFN-000381 | A | R1 F · R2 CN · Ar Pyridin-3-yl | C16H10FN5 | 291.3 | 3.29 | 74.5 | 0 | — | designed | |
| AFN-000382 | A | R1 F · R2 CN · Ar Pyridin-4-yl | C16H10FN5 | 291.3 | 3.29 | 74.5 | 0 | — | designed | |
| AFN-000383 | A | R1 F · R2 CN · Ar Pyridin-2-yl | C16H10FN5 | 291.3 | 3.29 | 74.5 | 0 | — | designed | |
| AFN-000384 | A | R1 F · R2 CN · Ar 3-F-phenyl | C17H10F2N4 | 308.3 | 4.04 | 61.6 | 0 | — | designed | |
| AFN-000385 | A | R1 F · R2 CN · Ar 4-F-phenyl | C17H10F2N4 | 308.3 | 4.04 | 61.6 | 0 | — | designed | |
| AFN-000386 | A | R1 F · R2 CN · Ar 3-Cl-phenyl | C17H10ClFN4 | 324.8 | 4.55 | 61.6 | 0 | — | designed | |
| AFN-000387 | A | R1 F · R2 CN · Ar 3-MeO-phenyl | C18H13FN4O | 320.3 | 3.91 | 70.8 | 0 | — | designed | |
| AFN-000388 | A | R1 F · R2 CN · Ar 2-MeO-phenyl | C18H13FN4O | 320.3 | 3.91 | 70.8 | 0 | — | designed | |
| AFN-000389 | A | R1 F · R2 CN · Ar 3-CN-phenyl | C18H10FN5 | 315.3 | 3.77 | 85.4 | 0 | — | designed | |
| AFN-000390 | A | R1 F · R2 CN · Ar 3,5-diF-phenyl | C17H9F3N4 | 326.3 | 4.18 | 61.6 | 1 | 7.25 | tested | |
| AFN-000391 | A | R1 F · R2 CN · Ar Thiophen-2-yl | C15H9FN4S | 296.3 | 3.96 | 61.6 | 0 | — | designed | |
| AFN-000392 | A | R1 F · R2 CN · Ar Thiophen-3-yl | C15H9FN4S | 296.3 | 3.96 | 61.6 | 0 | — | designed | |
| AFN-000393 | A | R1 F · R2 CN · Ar Furan-3-yl | C15H9FN4O | 280.3 | 3.49 | 74.7 | 0 | — | designed | |
| AFN-000394 | A | R1 F · R2 CN · Ar 1-Me-pyrazol-4-yl | C15H11FN6 | 294.3 | 2.63 | 79.4 | 0 | — | designed | |
| AFN-000395 | A | R1 F · R2 CN · Ar 1-Me-indol-3-yl | C20H14FN5 | 343.4 | 4.39 | 66.5 | 0 | — | designed | |
| AFN-000396 | A | R1 F · R2 CN · Ar Naphthalen-2-yl | C21H13FN4 | 340.4 | 5.05 | 61.6 | 0 | — | designed | |
| AFN-000397 | A | R1 F · R2 CN · Ar Pyrimidin-5-yl | C15H9FN6 | 292.3 | 2.69 | 87.4 | 0 | — | designed | |
| AFN-000398 | A | R1 F · R2 CN · Ar Quinolin-3-yl | C20H12FN5 | 341.4 | 4.45 | 74.5 | 0 | — | designed | |
| AFN-000399 | A | R1 F · R2 CN · Ar 6-MeO-pyridin-3-yl | C17H12FN5O | 321.3 | 3.30 | 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