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-001300 | A | R1 CF3 · R2 Br · Ar Phenyl | C17H11BrF3N3 | 394.2 | 5.67 | 37.8 | 0 | — | designed | |
| AFN-001301 | A | R1 CF3 · R2 Br · Ar Pyridin-3-yl | C16H10BrF3N4 | 395.2 | 5.06 | 50.7 | 0 | — | designed | |
| AFN-001302 | A | R1 CF3 · R2 Br · Ar Pyridin-4-yl | C16H10BrF3N4 | 395.2 | 5.06 | 50.7 | 0 | — | designed | |
| AFN-001303 | A | R1 CF3 · R2 Br · Ar Pyridin-2-yl | C16H10BrF3N4 | 395.2 | 5.06 | 50.7 | 0 | — | designed | |
| AFN-001304 | A | R1 CF3 · R2 Br · Ar 3-F-phenyl | C17H10BrF4N3 | 412.2 | 5.81 | 37.8 | 0 | — | designed | |
| AFN-001305 | A | R1 CF3 · R2 Br · Ar 4-F-phenyl | C17H10BrF4N3 | 412.2 | 5.81 | 37.8 | 0 | — | designed | |
| AFN-001306 | A | R1 CF3 · R2 Br · Ar 3-Cl-phenyl | C17H10BrClF3N3 | 428.6 | 6.32 | 37.8 | 0 | — | designed | |
| AFN-001307 | A | R1 CF3 · R2 Br · Ar 3-MeO-phenyl | C18H13BrF3N3O | 424.2 | 5.68 | 47.0 | 0 | — | designed | |
| AFN-001308 | A | R1 CF3 · R2 Br · Ar 2-MeO-phenyl | C18H13BrF3N3O | 424.2 | 5.68 | 47.0 | 0 | — | designed | |
| AFN-001309 | A | R1 CF3 · R2 Br · Ar 3-CN-phenyl | C18H10BrF3N4 | 419.2 | 5.54 | 61.6 | 0 | — | designed | |
| AFN-001310 | A | R1 CF3 · R2 Br · Ar 3,5-diF-phenyl | C17H9BrF5N3 | 430.2 | 5.95 | 37.8 | 0 | — | designed | |
| AFN-001311 | A | R1 CF3 · R2 Br · Ar Thiophen-2-yl | C15H9BrF3N3S | 400.2 | 5.73 | 37.8 | 0 | — | designed | |
| AFN-001312 | A | R1 CF3 · R2 Br · Ar Thiophen-3-yl | C15H9BrF3N3S | 400.2 | 5.73 | 37.8 | 0 | — | designed | |
| AFN-001313 | A | R1 CF3 · R2 Br · Ar Furan-3-yl | C15H9BrF3N3O | 384.2 | 5.26 | 51.0 | 0 | — | designed | |
| AFN-001314 | A | R1 CF3 · R2 Br · Ar 1-Me-pyrazol-4-yl | C15H11BrF3N5 | 398.2 | 4.40 | 55.6 | 1 | 7.70 | tested | |
| AFN-001315 | A | R1 CF3 · R2 Br · Ar 1-Me-indol-3-yl | C20H14BrF3N4 | 447.3 | 6.16 | 42.7 | 0 | — | designed | |
| AFN-001316 | A | R1 CF3 · R2 Br · Ar Naphthalen-2-yl | C21H13BrF3N3 | 444.3 | 6.82 | 37.8 | 0 | — | designed | |
| AFN-001317 | A | R1 CF3 · R2 Br · Ar Pyrimidin-5-yl | C15H9BrF3N5 | 396.2 | 4.46 | 63.6 | 0 | — | designed | |
| AFN-001318 | A | R1 CF3 · R2 Br · Ar Quinolin-3-yl | C20H12BrF3N4 | 445.2 | 6.22 | 50.7 | 0 | — | designed | |
| AFN-001319 | A | R1 CF3 · R2 Br · Ar 6-MeO-pyridin-3-yl | C17H12BrF3N4O | 425.2 | 5.07 | 59.9 | 0 | — | designed | |
| AFN-001320 | A | R1 CF3 · R2 CF3 · Ar Phenyl | C18H11F6N3 | 383.3 | 5.92 | 37.8 | 0 | — | designed | |
| AFN-001321 | A | R1 CF3 · R2 CF3 · Ar Pyridin-3-yl | C17H10F6N4 | 384.3 | 5.32 | 50.7 | 1 | 7.36 | tested | |
| AFN-001322 | A | R1 CF3 · R2 CF3 · Ar Pyridin-4-yl | C17H10F6N4 | 384.3 | 5.32 | 50.7 | 0 | — | designed | |
| AFN-001323 | A | R1 CF3 · R2 CF3 · Ar Pyridin-2-yl | C17H10F6N4 | 384.3 | 5.32 | 50.7 | 0 | — | designed | |
| AFN-001324 | A | R1 CF3 · R2 CF3 · Ar 3-F-phenyl | C18H10F7N3 | 401.3 | 6.06 | 37.8 | 0 | — | designed | |
| AFN-001325 | A | R1 CF3 · R2 CF3 · Ar 4-F-phenyl | C18H10F7N3 | 401.3 | 6.06 | 37.8 | 0 | — | designed | |
| AFN-001326 | A | R1 CF3 · R2 CF3 · Ar 3-Cl-phenyl | C18H10ClF6N3 | 417.7 | 6.58 | 37.8 | 0 | — | designed | |
| AFN-001327 | A | R1 CF3 · R2 CF3 · Ar 3-MeO-phenyl | C19H13F6N3O | 413.3 | 5.93 | 47.0 | 0 | — | designed | |
| AFN-001328 | A | R1 CF3 · R2 CF3 · Ar 2-MeO-phenyl | C19H13F6N3O | 413.3 | 5.93 | 47.0 | 0 | — | designed | |
| AFN-001329 | A | R1 CF3 · R2 CF3 · Ar 3-CN-phenyl | C19H10F6N4 | 408.3 | 5.80 | 61.6 | 0 | — | designed | |
| AFN-001330 | A | R1 CF3 · R2 CF3 · Ar 3,5-diF-phenyl | C18H9F8N3 | 419.3 | 6.20 | 37.8 | 0 | — | designed | |
| AFN-001331 | A | R1 CF3 · R2 CF3 · Ar Thiophen-2-yl | C16H9F6N3S | 389.3 | 5.99 | 37.8 | 0 | — | designed | |
| AFN-001332 | A | R1 CF3 · R2 CF3 · Ar Thiophen-3-yl | C16H9F6N3S | 389.3 | 5.99 | 37.8 | 0 | — | designed | |
| AFN-001333 | A | R1 CF3 · R2 CF3 · Ar Furan-3-yl | C16H9F6N3O | 373.3 | 5.52 | 51.0 | 0 | — | designed | |
| AFN-001334 | A | R1 CF3 · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C16H11F6N5 | 387.3 | 4.66 | 55.6 | 0 | — | designed | |
| AFN-001335 | A | R1 CF3 · R2 CF3 · Ar 1-Me-indol-3-yl | C21H14F6N4 | 436.4 | 6.42 | 42.7 | 0 | — | designed | |
| AFN-001336 | A | R1 CF3 · R2 CF3 · Ar Naphthalen-2-yl | C22H13F6N3 | 433.4 | 7.08 | 37.8 | 0 | — | designed | |
| AFN-001337 | A | R1 CF3 · R2 CF3 · Ar Pyrimidin-5-yl | C16H9F6N5 | 385.3 | 4.71 | 63.6 | 0 | — | designed | |
| AFN-001338 | A | R1 CF3 · R2 CF3 · Ar Quinolin-3-yl | C21H12F6N4 | 434.3 | 6.47 | 50.7 | 0 | — | designed | |
| AFN-001339 | A | R1 CF3 · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C18H12F6N4O | 414.3 | 5.33 | 59.9 | 0 | — | designed | |
| AFN-001340 | A | R1 CF3 · R2 CN · Ar Phenyl | C18H11F3N4 | 340.3 | 4.78 | 61.6 | 0 | — | designed | |
| AFN-001341 | A | R1 CF3 · R2 CN · Ar Pyridin-3-yl | C17H10F3N5 | 341.3 | 4.17 | 74.5 | 0 | — | designed | |
| AFN-001342 | A | R1 CF3 · R2 CN · Ar Pyridin-4-yl | C17H10F3N5 | 341.3 | 4.17 | 74.5 | 0 | — | designed | |
| AFN-001343 | A | R1 CF3 · R2 CN · Ar Pyridin-2-yl | C17H10F3N5 | 341.3 | 4.17 | 74.5 | 1 | 7.45 | tested | |
| AFN-001344 | A | R1 CF3 · R2 CN · Ar 3-F-phenyl | C18H10F4N4 | 358.3 | 4.92 | 61.6 | 0 | — | designed | |
| AFN-001345 | A | R1 CF3 · R2 CN · Ar 4-F-phenyl | C18H10F4N4 | 358.3 | 4.92 | 61.6 | 1 | 7.23 | tested | |
| AFN-001346 | A | R1 CF3 · R2 CN · Ar 3-Cl-phenyl | C18H10ClF3N4 | 374.8 | 5.43 | 61.6 | 0 | — | designed | |
| AFN-001347 | A | R1 CF3 · R2 CN · Ar 3-MeO-phenyl | C19H13F3N4O | 370.3 | 4.79 | 70.8 | 0 | — | designed | |
| AFN-001348 | A | R1 CF3 · R2 CN · Ar 2-MeO-phenyl | C19H13F3N4O | 370.3 | 4.79 | 70.8 | 0 | — | designed | |
| AFN-001349 | A | R1 CF3 · R2 CN · Ar 3-CN-phenyl | C19H10F3N5 | 365.3 | 4.65 | 85.4 | 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