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-001250 | A | R1 CF3 · R2 Me · Ar 3,5-diF-phenyl | C18H12F5N3 | 365.3 | 5.49 | 37.8 | 0 | — | designed | |
| AFN-001251 | A | R1 CF3 · R2 Me · Ar Thiophen-2-yl | C16H12F3N3S | 335.4 | 5.28 | 37.8 | 0 | — | designed | |
| AFN-001252 | A | R1 CF3 · R2 Me · Ar Thiophen-3-yl | C16H12F3N3S | 335.4 | 5.28 | 37.8 | 1 | 7.52 | tested | |
| AFN-001253 | A | R1 CF3 · R2 Me · Ar Furan-3-yl | C16H12F3N3O | 319.3 | 4.81 | 51.0 | 0 | — | designed | |
| AFN-001254 | A | R1 CF3 · R2 Me · Ar 1-Me-pyrazol-4-yl | C16H14F3N5 | 333.3 | 3.95 | 55.6 | 1 | 7.86 | tested | |
| AFN-001255 | A | R1 CF3 · R2 Me · Ar 1-Me-indol-3-yl | C21H17F3N4 | 382.4 | 5.71 | 42.7 | 1 | 8.00 | tested | |
| AFN-001256 | A | R1 CF3 · R2 Me · Ar Naphthalen-2-yl | C22H16F3N3 | 379.4 | 6.37 | 37.8 | 1 | 7.36 | tested | |
| AFN-001257 | A | R1 CF3 · R2 Me · Ar Pyrimidin-5-yl | C16H12F3N5 | 331.3 | 4.00 | 63.6 | 0 | — | designed | |
| AFN-001258 | A | R1 CF3 · R2 Me · Ar Quinolin-3-yl | C21H15F3N4 | 380.4 | 5.76 | 50.7 | 0 | — | designed | |
| AFN-001259 | A | R1 CF3 · R2 Me · Ar 6-MeO-pyridin-3-yl | C18H15F3N4O | 360.3 | 4.62 | 59.9 | 0 | — | designed | |
| AFN-001260 | A | R1 CF3 · R2 F · Ar Phenyl | C17H11F4N3 | 333.3 | 5.05 | 37.8 | 0 | — | designed | |
| AFN-001261 | A | R1 CF3 · R2 F · Ar Pyridin-3-yl | C16H10F4N4 | 334.3 | 4.44 | 50.7 | 0 | — | designed | |
| AFN-001262 | A | R1 CF3 · R2 F · Ar Pyridin-4-yl | C16H10F4N4 | 334.3 | 4.44 | 50.7 | 0 | — | designed | |
| AFN-001263 | A | R1 CF3 · R2 F · Ar Pyridin-2-yl | C16H10F4N4 | 334.3 | 4.44 | 50.7 | 0 | — | designed | |
| AFN-001264 | A | R1 CF3 · R2 F · Ar 3-F-phenyl | C17H10F5N3 | 351.3 | 5.18 | 37.8 | 0 | — | designed | |
| AFN-001265 | A | R1 CF3 · R2 F · Ar 4-F-phenyl | C17H10F5N3 | 351.3 | 5.18 | 37.8 | 1 | 7.36 | tested | |
| AFN-001266 | A | R1 CF3 · R2 F · Ar 3-Cl-phenyl | C17H10ClF4N3 | 367.7 | 5.70 | 37.8 | 0 | — | designed | |
| AFN-001267 | A | R1 CF3 · R2 F · Ar 3-MeO-phenyl | C18H13F4N3O | 363.3 | 5.05 | 47.0 | 0 | — | designed | |
| AFN-001268 | A | R1 CF3 · R2 F · Ar 2-MeO-phenyl | C18H13F4N3O | 363.3 | 5.05 | 47.0 | 0 | — | designed | |
| AFN-001269 | A | R1 CF3 · R2 F · Ar 3-CN-phenyl | C18H10F4N4 | 358.3 | 4.92 | 61.6 | 0 | — | designed | |
| AFN-001270 | A | R1 CF3 · R2 F · Ar 3,5-diF-phenyl | C17H9F6N3 | 369.3 | 5.32 | 37.8 | 0 | — | designed | |
| AFN-001271 | A | R1 CF3 · R2 F · Ar Thiophen-2-yl | C15H9F4N3S | 339.3 | 5.11 | 37.8 | 0 | — | designed | |
| AFN-001272 | A | R1 CF3 · R2 F · Ar Thiophen-3-yl | C15H9F4N3S | 339.3 | 5.11 | 37.8 | 0 | — | designed | |
| AFN-001273 | A | R1 CF3 · R2 F · Ar Furan-3-yl | C15H9F4N3O | 323.3 | 4.64 | 51.0 | 0 | — | designed | |
| AFN-001274 | A | R1 CF3 · R2 F · Ar 1-Me-pyrazol-4-yl | C15H11F4N5 | 337.3 | 3.78 | 55.6 | 0 | — | designed | |
| AFN-001275 | A | R1 CF3 · R2 F · Ar 1-Me-indol-3-yl | C20H14F4N4 | 386.4 | 5.54 | 42.7 | 1 | 8.01 | tested | |
| AFN-001276 | A | R1 CF3 · R2 F · Ar Naphthalen-2-yl | C21H13F4N3 | 383.4 | 6.20 | 37.8 | 0 | — | designed | |
| AFN-001277 | A | R1 CF3 · R2 F · Ar Pyrimidin-5-yl | C15H9F4N5 | 335.3 | 3.84 | 63.6 | 0 | — | designed | |
| AFN-001278 | A | R1 CF3 · R2 F · Ar Quinolin-3-yl | C20H12F4N4 | 384.3 | 5.59 | 50.7 | 1 | 7.90 | tested | |
| AFN-001279 | A | R1 CF3 · R2 F · Ar 6-MeO-pyridin-3-yl | C17H12F4N4O | 364.3 | 4.45 | 59.9 | 0 | — | designed | |
| AFN-001280 | A | R1 CF3 · R2 Cl · Ar Phenyl | C17H11ClF3N3 | 349.7 | 5.56 | 37.8 | 1 | 7.21 | tested | |
| AFN-001281 | A | R1 CF3 · R2 Cl · Ar Pyridin-3-yl | C16H10ClF3N4 | 350.7 | 4.95 | 50.7 | 0 | — | designed | |
| AFN-001282 | A | R1 CF3 · R2 Cl · Ar Pyridin-4-yl | C16H10ClF3N4 | 350.7 | 4.95 | 50.7 | 0 | — | designed | |
| AFN-001283 | A | R1 CF3 · R2 Cl · Ar Pyridin-2-yl | C16H10ClF3N4 | 350.7 | 4.95 | 50.7 | 0 | — | designed | |
| AFN-001284 | A | R1 CF3 · R2 Cl · Ar 3-F-phenyl | C17H10ClF4N3 | 367.7 | 5.70 | 37.8 | 0 | — | designed | |
| AFN-001285 | A | R1 CF3 · R2 Cl · Ar 4-F-phenyl | C17H10ClF4N3 | 367.7 | 5.70 | 37.8 | 1 | 7.55 | tested | |
| AFN-001286 | A | R1 CF3 · R2 Cl · Ar 3-Cl-phenyl | C17H10Cl2F3N3 | 384.2 | 6.21 | 37.8 | 1 | — | tested | |
| AFN-001287 | A | R1 CF3 · R2 Cl · Ar 3-MeO-phenyl | C18H13ClF3N3O | 379.8 | 5.57 | 47.0 | 0 | — | designed | |
| AFN-001288 | A | R1 CF3 · R2 Cl · Ar 2-MeO-phenyl | C18H13ClF3N3O | 379.8 | 5.57 | 47.0 | 0 | — | designed | |
| AFN-001289 | A | R1 CF3 · R2 Cl · Ar 3-CN-phenyl | C18H10ClF3N4 | 374.8 | 5.43 | 61.6 | 0 | — | designed | |
| AFN-001290 | A | R1 CF3 · R2 Cl · Ar 3,5-diF-phenyl | C17H9ClF5N3 | 385.7 | 5.84 | 37.8 | 0 | — | designed | |
| AFN-001291 | A | R1 CF3 · R2 Cl · Ar Thiophen-2-yl | C15H9ClF3N3S | 355.8 | 5.62 | 37.8 | 0 | — | designed | |
| AFN-001292 | A | R1 CF3 · R2 Cl · Ar Thiophen-3-yl | C15H9ClF3N3S | 355.8 | 5.62 | 37.8 | 0 | — | designed | |
| AFN-001293 | A | R1 CF3 · R2 Cl · Ar Furan-3-yl | C15H9ClF3N3O | 339.7 | 5.15 | 51.0 | 0 | — | designed | |
| AFN-001294 | A | R1 CF3 · R2 Cl · Ar 1-Me-pyrazol-4-yl | C15H11ClF3N5 | 353.7 | 4.29 | 55.6 | 0 | — | designed | |
| AFN-001295 | A | R1 CF3 · R2 Cl · Ar 1-Me-indol-3-yl | C20H14ClF3N4 | 402.8 | 6.05 | 42.7 | 0 | — | designed | |
| AFN-001296 | A | R1 CF3 · R2 Cl · Ar Naphthalen-2-yl | C21H13ClF3N3 | 399.8 | 6.71 | 37.8 | 0 | — | designed | |
| AFN-001297 | A | R1 CF3 · R2 Cl · Ar Pyrimidin-5-yl | C15H9ClF3N5 | 351.7 | 4.35 | 63.6 | 0 | — | designed | |
| AFN-001298 | A | R1 CF3 · R2 Cl · Ar Quinolin-3-yl | C20H12ClF3N4 | 400.8 | 6.11 | 50.7 | 0 | — | designed | |
| AFN-001299 | A | R1 CF3 · R2 Cl · Ar 6-MeO-pyridin-3-yl | C17H12ClF3N4O | 380.8 | 4.96 | 59.9 | 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