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-000250 | A | R1 H · R2 OMe · Ar 3,5-diF-phenyl | C17H13F2N3O | 313.3 | 4.17 | 47.0 | 0 | — | designed | |
| AFN-000251 | A | R1 H · R2 OMe · Ar Thiophen-2-yl | C15H13N3OS | 283.4 | 3.96 | 47.0 | 0 | — | designed | |
| AFN-000252 | A | R1 H · R2 OMe · Ar Thiophen-3-yl | C15H13N3OS | 283.4 | 3.96 | 47.0 | 1 | 6.86 | tested | |
| AFN-000253 | A | R1 H · R2 OMe · Ar Furan-3-yl | C15H13N3O2 | 267.3 | 3.49 | 60.2 | 0 | — | designed | |
| AFN-000254 | A | R1 H · R2 OMe · Ar 1-Me-pyrazol-4-yl | C15H15N5O | 281.3 | 2.63 | 64.9 | 0 | — | designed | |
| AFN-000255 | A | R1 H · R2 OMe · Ar 1-Me-indol-3-yl | C20H18N4O | 330.4 | 4.39 | 52.0 | 0 | — | designed | |
| AFN-000256 | A | R1 H · R2 OMe · Ar Naphthalen-2-yl | C21H17N3O | 327.4 | 5.05 | 47.0 | 1 | — | tested | |
| AFN-000257 | A | R1 H · R2 OMe · Ar Pyrimidin-5-yl | C15H13N5O | 279.3 | 2.69 | 72.8 | 0 | — | designed | |
| AFN-000258 | A | R1 H · R2 OMe · Ar Quinolin-3-yl | C20H16N4O | 328.4 | 4.44 | 59.9 | 0 | — | designed | |
| AFN-000259 | A | R1 H · R2 OMe · Ar 6-MeO-pyridin-3-yl | C17H16N4O2 | 308.3 | 3.30 | 69.2 | 0 | — | designed | |
| AFN-000260 | A | R1 F · R2 H · Ar Phenyl | C16H12FN3 | 265.3 | 4.03 | 37.8 | 0 | — | designed | |
| AFN-000261 | A | R1 F · R2 H · Ar Pyridin-3-yl | C15H11FN4 | 266.3 | 3.42 | 50.7 | 0 | — | designed | |
| AFN-000262 | A | R1 F · R2 H · Ar Pyridin-4-yl | C15H11FN4 | 266.3 | 3.42 | 50.7 | 0 | — | designed | |
| AFN-000263 | A | R1 F · R2 H · Ar Pyridin-2-yl | C15H11FN4 | 266.3 | 3.42 | 50.7 | 0 | — | designed | |
| AFN-000264 | A | R1 F · R2 H · Ar 3-F-phenyl | C16H11F2N3 | 283.3 | 4.17 | 37.8 | 0 | — | designed | |
| AFN-000265 | A | R1 F · R2 H · Ar 4-F-phenyl | C16H11F2N3 | 283.3 | 4.17 | 37.8 | 0 | — | designed | |
| AFN-000266 | A | R1 F · R2 H · Ar 3-Cl-phenyl | C16H11ClFN3 | 299.7 | 4.68 | 37.8 | 0 | — | designed | |
| AFN-000267 | A | R1 F · R2 H · Ar 3-MeO-phenyl | C17H14FN3O | 295.3 | 4.03 | 47.0 | 0 | — | designed | |
| AFN-000268 | A | R1 F · R2 H · Ar 2-MeO-phenyl | C17H14FN3O | 295.3 | 4.03 | 47.0 | 0 | — | designed | |
| AFN-000269 | A | R1 F · R2 H · Ar 3-CN-phenyl | C17H11FN4 | 290.3 | 3.90 | 61.6 | 1 | 7.35 | tested | |
| AFN-000270 | A | R1 F · R2 H · Ar 3,5-diF-phenyl | C16H10F3N3 | 301.3 | 4.30 | 37.8 | 0 | — | designed | |
| AFN-000271 | A | R1 F · R2 H · Ar Thiophen-2-yl | C14H10FN3S | 271.3 | 4.09 | 37.8 | 0 | — | designed | |
| AFN-000272 | A | R1 F · R2 H · Ar Thiophen-3-yl | C14H10FN3S | 271.3 | 4.09 | 37.8 | 0 | — | designed | |
| AFN-000273 | A | R1 F · R2 H · Ar Furan-3-yl | C14H10FN3O | 255.3 | 3.62 | 51.0 | 1 | 6.91 | tested | |
| AFN-000274 | A | R1 F · R2 H · Ar 1-Me-pyrazol-4-yl | C14H12FN5 | 269.3 | 2.76 | 55.6 | 1 | 7.23 | tested | |
| AFN-000275 | A | R1 F · R2 H · Ar 1-Me-indol-3-yl | C19H15FN4 | 318.4 | 4.52 | 42.7 | 1 | 7.13 | tested | |
| AFN-000276 | A | R1 F · R2 H · Ar Naphthalen-2-yl | C20H14FN3 | 315.4 | 5.18 | 37.8 | 0 | — | designed | |
| AFN-000277 | A | R1 F · R2 H · Ar Pyrimidin-5-yl | C14H10FN5 | 267.3 | 2.82 | 63.6 | 0 | — | designed | |
| AFN-000278 | A | R1 F · R2 H · Ar Quinolin-3-yl | C19H13FN4 | 316.3 | 4.57 | 50.7 | 0 | — | designed | |
| AFN-000279 | A | R1 F · R2 H · Ar 6-MeO-pyridin-3-yl | C16H13FN4O | 296.3 | 3.43 | 59.9 | 0 | — | designed | |
| AFN-000280 | A | R1 F · R2 Me · Ar Phenyl | C17H14FN3 | 279.3 | 4.33 | 37.8 | 0 | — | designed | |
| AFN-000281 | A | R1 F · R2 Me · Ar Pyridin-3-yl | C16H13FN4 | 280.3 | 3.73 | 50.7 | 0 | — | designed | |
| AFN-000282 | A | R1 F · R2 Me · Ar Pyridin-4-yl | C16H13FN4 | 280.3 | 3.73 | 50.7 | 0 | — | designed | |
| AFN-000283 | A | R1 F · R2 Me · Ar Pyridin-2-yl | C16H13FN4 | 280.3 | 3.73 | 50.7 | 1 | 7.09 | tested | |
| AFN-000284 | A | R1 F · R2 Me · Ar 3-F-phenyl | C17H13F2N3 | 297.3 | 4.47 | 37.8 | 0 | — | designed | |
| AFN-000285 | A | R1 F · R2 Me · Ar 4-F-phenyl | C17H13F2N3 | 297.3 | 4.47 | 37.8 | 1 | 7.24 | tested | |
| AFN-000286 | A | R1 F · R2 Me · Ar 3-Cl-phenyl | C17H13ClFN3 | 313.8 | 4.99 | 37.8 | 0 | — | designed | |
| AFN-000287 | A | R1 F · R2 Me · Ar 3-MeO-phenyl | C18H16FN3O | 309.3 | 4.34 | 47.0 | 0 | — | designed | |
| AFN-000288 | A | R1 F · R2 Me · Ar 2-MeO-phenyl | C18H16FN3O | 309.3 | 4.34 | 47.0 | 0 | — | designed | |
| AFN-000289 | A | R1 F · R2 Me · Ar 3-CN-phenyl | C18H13FN4 | 304.3 | 4.21 | 61.6 | 0 | — | designed | |
| AFN-000290 | A | R1 F · R2 Me · Ar 3,5-diF-phenyl | C17H12F3N3 | 315.3 | 4.61 | 37.8 | 0 | — | designed | |
| AFN-000291 | A | R1 F · R2 Me · Ar Thiophen-2-yl | C15H12FN3S | 285.4 | 4.40 | 37.8 | 0 | — | designed | |
| AFN-000292 | A | R1 F · R2 Me · Ar Thiophen-3-yl | C15H12FN3S | 285.4 | 4.40 | 37.8 | 0 | — | designed | |
| AFN-000293 | A | R1 F · R2 Me · Ar Furan-3-yl | C15H12FN3O | 269.3 | 3.93 | 51.0 | 0 | — | designed | |
| AFN-000294 | A | R1 F · R2 Me · Ar 1-Me-pyrazol-4-yl | C15H14FN5 | 283.3 | 3.07 | 55.6 | 0 | — | designed | |
| AFN-000295 | A | R1 F · R2 Me · Ar 1-Me-indol-3-yl | C20H17FN4 | 332.4 | 4.83 | 42.7 | 0 | — | designed | |
| AFN-000296 | A | R1 F · R2 Me · Ar Naphthalen-2-yl | C21H16FN3 | 329.4 | 5.49 | 37.8 | 0 | — | designed | |
| AFN-000297 | A | R1 F · R2 Me · Ar Pyrimidin-5-yl | C15H12FN5 | 281.3 | 3.12 | 63.6 | 0 | — | designed | |
| AFN-000298 | A | R1 F · R2 Me · Ar Quinolin-3-yl | C20H15FN4 | 330.4 | 4.88 | 50.7 | 0 | — | designed | |
| AFN-000299 | A | R1 F · R2 Me · Ar 6-MeO-pyridin-3-yl | C17H15FN4O | 310.3 | 3.74 | 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