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-002250 | A | R1 morpholin-4-yl · R2 Cl · Ar 3,5-diF-phenyl | C20H17ClF2N4O | 402.8 | 4.66 | 50.3 | 0 | — | designed | |
| AFN-002251 | A | R1 morpholin-4-yl · R2 Cl · Ar Thiophen-2-yl | C18H17ClN4OS | 372.9 | 4.44 | 50.3 | 0 | — | designed | |
| AFN-002252 | A | R1 morpholin-4-yl · R2 Cl · Ar Thiophen-3-yl | C18H17ClN4OS | 372.9 | 4.44 | 50.3 | 0 | — | designed | |
| AFN-002253 | A | R1 morpholin-4-yl · R2 Cl · Ar Furan-3-yl | C18H17ClN4O2 | 356.8 | 3.97 | 63.4 | 0 | — | designed | |
| AFN-002254 | A | R1 morpholin-4-yl · R2 Cl · Ar 1-Me-pyrazol-4-yl | C18H19ClN6O | 370.8 | 3.11 | 68.1 | 0 | — | designed | |
| AFN-002255 | A | R1 morpholin-4-yl · R2 Cl · Ar 1-Me-indol-3-yl | C23H22ClN5O | 419.9 | 4.87 | 55.2 | 0 | — | designed | |
| AFN-002256 | A | R1 morpholin-4-yl · R2 Cl · Ar Naphthalen-2-yl | C24H21ClN4O | 416.9 | 5.53 | 50.3 | 0 | — | designed | |
| AFN-002257 | A | R1 morpholin-4-yl · R2 Cl · Ar Pyrimidin-5-yl | C18H17ClN6O | 368.8 | 3.17 | 76.1 | 1 | 7.87 | tested | |
| AFN-002258 | A | R1 morpholin-4-yl · R2 Cl · Ar Quinolin-3-yl | C23H20ClN5O | 417.9 | 4.93 | 63.2 | 1 | 7.86 | tested | |
| AFN-002259 | A | R1 morpholin-4-yl · R2 Cl · Ar 6-MeO-pyridin-3-yl | C20H20ClN5O2 | 397.9 | 3.78 | 72.4 | 0 | — | designed | |
| AFN-002260 | A | R1 morpholin-4-yl · R2 Br · Ar Phenyl | C20H19BrN4O | 411.3 | 4.49 | 50.3 | 0 | — | designed | |
| AFN-002261 | A | R1 morpholin-4-yl · R2 Br · Ar Pyridin-3-yl | C19H18BrN5O | 412.3 | 3.88 | 63.2 | 0 | — | designed | |
| AFN-002262 | A | R1 morpholin-4-yl · R2 Br · Ar Pyridin-4-yl | C19H18BrN5O | 412.3 | 3.88 | 63.2 | 0 | — | designed | |
| AFN-002263 | A | R1 morpholin-4-yl · R2 Br · Ar Pyridin-2-yl | C19H18BrN5O | 412.3 | 3.88 | 63.2 | 0 | — | designed | |
| AFN-002264 | A | R1 morpholin-4-yl · R2 Br · Ar 3-F-phenyl | C20H18BrFN4O | 429.3 | 4.63 | 50.3 | 0 | — | designed | |
| AFN-002265 | A | R1 morpholin-4-yl · R2 Br · Ar 4-F-phenyl | C20H18BrFN4O | 429.3 | 4.63 | 50.3 | 0 | — | designed | |
| AFN-002266 | A | R1 morpholin-4-yl · R2 Br · Ar 3-Cl-phenyl | C20H18BrClN4O | 445.8 | 5.14 | 50.3 | 0 | — | designed | |
| AFN-002267 | A | R1 morpholin-4-yl · R2 Br · Ar 3-MeO-phenyl | C21H21BrN4O2 | 441.3 | 4.49 | 59.5 | 1 | 7.62 | tested | |
| AFN-002268 | A | R1 morpholin-4-yl · R2 Br · Ar 2-MeO-phenyl | C21H21BrN4O2 | 441.3 | 4.49 | 59.5 | 0 | — | designed | |
| AFN-002269 | A | R1 morpholin-4-yl · R2 Br · Ar 3-CN-phenyl | C21H18BrN5O | 436.3 | 4.36 | 74.1 | 0 | — | designed | |
| AFN-002270 | A | R1 morpholin-4-yl · R2 Br · Ar 3,5-diF-phenyl | C20H17BrF2N4O | 447.3 | 4.76 | 50.3 | 0 | — | designed | |
| AFN-002271 | A | R1 morpholin-4-yl · R2 Br · Ar Thiophen-2-yl | C18H17BrN4OS | 417.3 | 4.55 | 50.3 | 0 | — | designed | |
| AFN-002272 | A | R1 morpholin-4-yl · R2 Br · Ar Thiophen-3-yl | C18H17BrN4OS | 417.3 | 4.55 | 50.3 | 0 | — | designed | |
| AFN-002273 | A | R1 morpholin-4-yl · R2 Br · Ar Furan-3-yl | C18H17BrN4O2 | 401.3 | 4.08 | 63.4 | 0 | — | designed | |
| AFN-002274 | A | R1 morpholin-4-yl · R2 Br · Ar 1-Me-pyrazol-4-yl | C18H19BrN6O | 415.3 | 3.22 | 68.1 | 1 | 7.96 | tested | |
| AFN-002275 | A | R1 morpholin-4-yl · R2 Br · Ar 1-Me-indol-3-yl | C23H22BrN5O | 464.4 | 4.98 | 55.2 | 0 | — | designed | |
| AFN-002276 | A | R1 morpholin-4-yl · R2 Br · Ar Naphthalen-2-yl | C24H21BrN4O | 461.4 | 5.64 | 50.3 | 0 | — | designed | |
| AFN-002277 | A | R1 morpholin-4-yl · R2 Br · Ar Pyrimidin-5-yl | C18H17BrN6O | 413.3 | 3.28 | 76.1 | 0 | — | designed | |
| AFN-002278 | A | R1 morpholin-4-yl · R2 Br · Ar Quinolin-3-yl | C23H20BrN5O | 462.4 | 5.03 | 63.2 | 0 | — | designed | |
| AFN-002279 | A | R1 morpholin-4-yl · R2 Br · Ar 6-MeO-pyridin-3-yl | C20H20BrN5O2 | 442.3 | 3.89 | 72.4 | 0 | — | designed | |
| AFN-002280 | A | R1 morpholin-4-yl · R2 CF3 · Ar Phenyl | C21H19F3N4O | 400.4 | 4.74 | 50.3 | 0 | — | designed | |
| AFN-002281 | A | R1 morpholin-4-yl · R2 CF3 · Ar Pyridin-3-yl | C20H18F3N5O | 401.4 | 4.14 | 63.2 | 0 | — | designed | |
| AFN-002282 | A | R1 morpholin-4-yl · R2 CF3 · Ar Pyridin-4-yl | C20H18F3N5O | 401.4 | 4.14 | 63.2 | 0 | — | designed | |
| AFN-002283 | A | R1 morpholin-4-yl · R2 CF3 · Ar Pyridin-2-yl | C20H18F3N5O | 401.4 | 4.14 | 63.2 | 1 | — | tested | |
| AFN-002284 | A | R1 morpholin-4-yl · R2 CF3 · Ar 3-F-phenyl | C21H18F4N4O | 418.4 | 4.88 | 50.3 | 0 | — | designed | |
| AFN-002285 | A | R1 morpholin-4-yl · R2 CF3 · Ar 4-F-phenyl | C21H18F4N4O | 418.4 | 4.88 | 50.3 | 0 | — | designed | |
| AFN-002286 | A | R1 morpholin-4-yl · R2 CF3 · Ar 3-Cl-phenyl | C21H18ClF3N4O | 434.9 | 5.40 | 50.3 | 0 | — | designed | |
| AFN-002287 | A | R1 morpholin-4-yl · R2 CF3 · Ar 3-MeO-phenyl | C22H21F3N4O2 | 430.4 | 4.75 | 59.5 | 0 | — | designed | |
| AFN-002288 | A | R1 morpholin-4-yl · R2 CF3 · Ar 2-MeO-phenyl | C22H21F3N4O2 | 430.4 | 4.75 | 59.5 | 0 | — | designed | |
| AFN-002289 | A | R1 morpholin-4-yl · R2 CF3 · Ar 3-CN-phenyl | C22H18F3N5O | 425.4 | 4.61 | 74.1 | 0 | — | designed | |
| AFN-002290 | A | R1 morpholin-4-yl · R2 CF3 · Ar 3,5-diF-phenyl | C21H17F5N4O | 436.4 | 5.02 | 50.3 | 0 | — | designed | |
| AFN-002291 | A | R1 morpholin-4-yl · R2 CF3 · Ar Thiophen-2-yl | C19H17F3N4OS | 406.4 | 4.80 | 50.3 | 0 | — | designed | |
| AFN-002292 | A | R1 morpholin-4-yl · R2 CF3 · Ar Thiophen-3-yl | C19H17F3N4OS | 406.4 | 4.80 | 50.3 | 0 | — | designed | |
| AFN-002293 | A | R1 morpholin-4-yl · R2 CF3 · Ar Furan-3-yl | C19H17F3N4O2 | 390.4 | 4.34 | 63.4 | 0 | — | designed | |
| AFN-002294 | A | R1 morpholin-4-yl · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C19H19F3N6O | 404.4 | 3.48 | 68.1 | 0 | — | designed | |
| AFN-002295 | A | R1 morpholin-4-yl · R2 CF3 · Ar 1-Me-indol-3-yl | C24H22F3N5O | 453.5 | 5.23 | 55.2 | 0 | — | designed | |
| AFN-002296 | A | R1 morpholin-4-yl · R2 CF3 · Ar Naphthalen-2-yl | C25H21F3N4O | 450.5 | 5.90 | 50.3 | 1 | 6.91 | tested | |
| AFN-002297 | A | R1 morpholin-4-yl · R2 CF3 · Ar Pyrimidin-5-yl | C19H17F3N6O | 402.4 | 3.53 | 76.1 | 1 | 7.33 | tested | |
| AFN-002298 | A | R1 morpholin-4-yl · R2 CF3 · Ar Quinolin-3-yl | C24H20F3N5O | 451.4 | 5.29 | 63.2 | 0 | — | designed | |
| AFN-002299 | A | R1 morpholin-4-yl · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C21H20F3N5O2 | 431.4 | 4.15 | 72.4 | 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