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-003250 | A | R1 OH · R2 CF3 · Ar 3,5-diF-phenyl | C17H10F5N3O | 367.3 | 4.89 | 58.0 | 0 | — | designed | |
| AFN-003251 | A | R1 OH · R2 CF3 · Ar Thiophen-2-yl | C15H10F3N3OS | 337.3 | 4.67 | 58.0 | 0 | — | designed | |
| AFN-003252 | A | R1 OH · R2 CF3 · Ar Thiophen-3-yl | C15H10F3N3OS | 337.3 | 4.67 | 58.0 | 1 | 6.41 | tested | |
| AFN-003253 | A | R1 OH · R2 CF3 · Ar Furan-3-yl | C15H10F3N3O2 | 321.3 | 4.20 | 71.2 | 0 | — | designed | |
| AFN-003254 | A | R1 OH · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C15H12F3N5O | 335.3 | 3.35 | 75.9 | 0 | — | designed | |
| AFN-003255 | A | R1 OH · R2 CF3 · Ar 1-Me-indol-3-yl | C20H15F3N4O | 384.4 | 5.10 | 63.0 | 1 | 6.62 | tested | |
| AFN-003256 | A | R1 OH · R2 CF3 · Ar Naphthalen-2-yl | C21H14F3N3O | 381.4 | 5.76 | 58.0 | 0 | — | designed | |
| AFN-003257 | A | R1 OH · R2 CF3 · Ar Pyrimidin-5-yl | C15H10F3N5O | 333.3 | 3.40 | 83.8 | 0 | — | designed | |
| AFN-003258 | A | R1 OH · R2 CF3 · Ar Quinolin-3-yl | C20H13F3N4O | 382.4 | 5.16 | 70.9 | 0 | — | designed | |
| AFN-003259 | A | R1 OH · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C17H13F3N4O2 | 362.3 | 4.02 | 80.2 | 0 | — | designed | |
| AFN-003260 | A | R1 OH · R2 CN · Ar Phenyl | C17H12N4O | 288.3 | 3.46 | 81.8 | 0 | — | designed | |
| AFN-003261 | A | R1 OH · R2 CN · Ar Pyridin-3-yl | C16H11N5O | 289.3 | 2.86 | 94.7 | 0 | — | designed | |
| AFN-003262 | A | R1 OH · R2 CN · Ar Pyridin-4-yl | C16H11N5O | 289.3 | 2.86 | 94.7 | 0 | — | designed | |
| AFN-003263 | A | R1 OH · R2 CN · Ar Pyridin-2-yl | C16H11N5O | 289.3 | 2.86 | 94.7 | 0 | — | designed | |
| AFN-003264 | A | R1 OH · R2 CN · Ar 3-F-phenyl | C17H11FN4O | 306.3 | 3.60 | 81.8 | 0 | — | designed | |
| AFN-003265 | A | R1 OH · R2 CN · Ar 4-F-phenyl | C17H11FN4O | 306.3 | 3.60 | 81.8 | 0 | — | designed | |
| AFN-003266 | A | R1 OH · R2 CN · Ar 3-Cl-phenyl | C17H11ClN4O | 322.8 | 4.12 | 81.8 | 0 | — | designed | |
| AFN-003267 | A | R1 OH · R2 CN · Ar 3-MeO-phenyl | C18H14N4O2 | 318.3 | 3.47 | 91.1 | 0 | — | designed | |
| AFN-003268 | A | R1 OH · R2 CN · Ar 2-MeO-phenyl | C18H14N4O2 | 318.3 | 3.47 | 91.1 | 0 | — | designed | |
| AFN-003269 | A | R1 OH · R2 CN · Ar 3-CN-phenyl | C18H11N5O | 313.3 | 3.34 | 105.6 | 0 | — | designed | |
| AFN-003270 | A | R1 OH · R2 CN · Ar 3,5-diF-phenyl | C17H10F2N4O | 324.3 | 3.74 | 81.8 | 0 | — | designed | |
| AFN-003271 | A | R1 OH · R2 CN · Ar Thiophen-2-yl | C15H10N4OS | 294.3 | 3.53 | 81.8 | 0 | — | designed | |
| AFN-003272 | A | R1 OH · R2 CN · Ar Thiophen-3-yl | C15H10N4OS | 294.3 | 3.53 | 81.8 | 0 | — | designed | |
| AFN-003273 | A | R1 OH · R2 CN · Ar Furan-3-yl | C15H10N4O2 | 278.3 | 3.06 | 95.0 | 0 | — | designed | |
| AFN-003274 | A | R1 OH · R2 CN · Ar 1-Me-pyrazol-4-yl | C15H12N6O | 292.3 | 2.20 | 99.7 | 0 | — | designed | |
| AFN-003275 | A | R1 OH · R2 CN · Ar 1-Me-indol-3-yl | C20H15N5O | 341.4 | 3.96 | 86.8 | 1 | 7.10 | tested | |
| AFN-003276 | A | R1 OH · R2 CN · Ar Naphthalen-2-yl | C21H14N4O | 338.4 | 4.62 | 81.8 | 0 | — | designed | |
| AFN-003277 | A | R1 OH · R2 CN · Ar Pyrimidin-5-yl | C15H10N6O | 290.3 | 2.25 | 107.6 | 0 | — | designed | |
| AFN-003278 | A | R1 OH · R2 CN · Ar Quinolin-3-yl | C20H13N5O | 339.4 | 4.01 | 94.7 | 0 | — | designed | |
| AFN-003279 | A | R1 OH · R2 CN · Ar 6-MeO-pyridin-3-yl | C17H13N5O2 | 319.3 | 2.87 | 104.0 | 0 | — | designed | |
| AFN-003280 | A | R1 OH · R2 OMe · Ar Phenyl | C17H15N3O2 | 293.3 | 3.60 | 67.3 | 0 | — | designed | |
| AFN-003281 | A | R1 OH · R2 OMe · Ar Pyridin-3-yl | C16H14N4O2 | 294.3 | 3.00 | 80.2 | 0 | — | designed | |
| AFN-003282 | A | R1 OH · R2 OMe · Ar Pyridin-4-yl | C16H14N4O2 | 294.3 | 3.00 | 80.2 | 0 | — | designed | |
| AFN-003283 | A | R1 OH · R2 OMe · Ar Pyridin-2-yl | C16H14N4O2 | 294.3 | 3.00 | 80.2 | 0 | — | designed | |
| AFN-003284 | A | R1 OH · R2 OMe · Ar 3-F-phenyl | C17H14FN3O2 | 311.3 | 3.74 | 67.3 | 1 | — | tested | |
| AFN-003285 | A | R1 OH · R2 OMe · Ar 4-F-phenyl | C17H14FN3O2 | 311.3 | 3.74 | 67.3 | 0 | — | designed | |
| AFN-003286 | A | R1 OH · R2 OMe · Ar 3-Cl-phenyl | C17H14ClN3O2 | 327.8 | 4.25 | 67.3 | 0 | — | designed | |
| AFN-003287 | A | R1 OH · R2 OMe · Ar 3-MeO-phenyl | C18H17N3O3 | 323.4 | 3.61 | 76.5 | 1 | 6.81 | tested | |
| AFN-003288 | A | R1 OH · R2 OMe · Ar 2-MeO-phenyl | C18H17N3O3 | 323.4 | 3.61 | 76.5 | 0 | — | designed | |
| AFN-003289 | A | R1 OH · R2 OMe · Ar 3-CN-phenyl | C18H14N4O2 | 318.3 | 3.47 | 91.1 | 0 | — | designed | |
| AFN-003290 | A | R1 OH · R2 OMe · Ar 3,5-diF-phenyl | C17H13F2N3O2 | 329.3 | 3.88 | 67.3 | 0 | — | designed | |
| AFN-003291 | A | R1 OH · R2 OMe · Ar Thiophen-2-yl | C15H13N3O2S | 299.4 | 3.66 | 67.3 | 1 | 6.92 | tested | |
| AFN-003292 | A | R1 OH · R2 OMe · Ar Thiophen-3-yl | C15H13N3O2S | 299.4 | 3.66 | 67.3 | 1 | — | tested | |
| AFN-003293 | A | R1 OH · R2 OMe · Ar Furan-3-yl | C15H13N3O3 | 283.3 | 3.19 | 80.4 | 0 | — | designed | |
| AFN-003294 | A | R1 OH · R2 OMe · Ar 1-Me-pyrazol-4-yl | C15H15N5O2 | 297.3 | 2.33 | 85.1 | 0 | — | designed | |
| AFN-003295 | A | R1 OH · R2 OMe · Ar 1-Me-indol-3-yl | C20H18N4O2 | 346.4 | 4.09 | 72.2 | 0 | — | designed | |
| AFN-003296 | A | R1 OH · R2 OMe · Ar Naphthalen-2-yl | C21H17N3O2 | 343.4 | 4.75 | 67.3 | 0 | — | designed | |
| AFN-003297 | A | R1 OH · R2 OMe · Ar Pyrimidin-5-yl | C15H13N5O2 | 295.3 | 2.39 | 93.1 | 1 | 6.79 | tested | |
| AFN-003298 | A | R1 OH · R2 OMe · Ar Quinolin-3-yl | C20H16N4O2 | 344.4 | 4.15 | 80.2 | 0 | — | designed | |
| AFN-003299 | A | R1 OH · R2 OMe · Ar 6-MeO-pyridin-3-yl | C17H16N4O3 | 324.3 | 3.01 | 89.4 | 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