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-000300 | A | R1 F · R2 F · Ar Phenyl | C16H11F2N3 | 283.3 | 4.17 | 37.8 | 0 | — | designed | |
| AFN-000301 | A | R1 F · R2 F · Ar Pyridin-3-yl | C15H10F2N4 | 284.3 | 3.56 | 50.7 | 0 | — | designed | |
| AFN-000302 | A | R1 F · R2 F · Ar Pyridin-4-yl | C15H10F2N4 | 284.3 | 3.56 | 50.7 | 0 | — | designed | |
| AFN-000303 | A | R1 F · R2 F · Ar Pyridin-2-yl | C15H10F2N4 | 284.3 | 3.56 | 50.7 | 0 | — | designed | |
| AFN-000304 | A | R1 F · R2 F · Ar 3-F-phenyl | C16H10F3N3 | 301.3 | 4.30 | 37.8 | 0 | — | designed | |
| AFN-000305 | A | R1 F · R2 F · Ar 4-F-phenyl | C16H10F3N3 | 301.3 | 4.30 | 37.8 | 0 | — | designed | |
| AFN-000306 | A | R1 F · R2 F · Ar 3-Cl-phenyl | C16H10ClF2N3 | 317.7 | 4.82 | 37.8 | 0 | — | designed | |
| AFN-000307 | A | R1 F · R2 F · Ar 3-MeO-phenyl | C17H13F2N3O | 313.3 | 4.17 | 47.0 | 1 | 7.38 | tested | |
| AFN-000308 | A | R1 F · R2 F · Ar 2-MeO-phenyl | C17H13F2N3O | 313.3 | 4.17 | 47.0 | 0 | — | designed | |
| AFN-000309 | A | R1 F · R2 F · Ar 3-CN-phenyl | C17H10F2N4 | 308.3 | 4.04 | 61.6 | 0 | — | designed | |
| AFN-000310 | A | R1 F · R2 F · Ar 3,5-diF-phenyl | C16H9F4N3 | 319.3 | 4.44 | 37.8 | 0 | — | designed | |
| AFN-000311 | A | R1 F · R2 F · Ar Thiophen-2-yl | C14H9F2N3S | 289.3 | 4.23 | 37.8 | 0 | — | designed | |
| AFN-000312 | A | R1 F · R2 F · Ar Thiophen-3-yl | C14H9F2N3S | 289.3 | 4.23 | 37.8 | 0 | — | designed | |
| AFN-000313 | A | R1 F · R2 F · Ar Furan-3-yl | C14H9F2N3O | 273.2 | 3.76 | 51.0 | 0 | — | designed | |
| AFN-000314 | A | R1 F · R2 F · Ar 1-Me-pyrazol-4-yl | C14H11F2N5 | 287.3 | 2.90 | 55.6 | 0 | — | designed | |
| AFN-000315 | A | R1 F · R2 F · Ar 1-Me-indol-3-yl | C19H14F2N4 | 336.4 | 4.66 | 42.7 | 0 | — | designed | |
| AFN-000316 | A | R1 F · R2 F · Ar Naphthalen-2-yl | C20H13F2N3 | 333.3 | 5.32 | 37.8 | 0 | — | designed | |
| AFN-000317 | A | R1 F · R2 F · Ar Pyrimidin-5-yl | C14H9F2N5 | 285.3 | 2.96 | 63.6 | 0 | — | designed | |
| AFN-000318 | A | R1 F · R2 F · Ar Quinolin-3-yl | C19H12F2N4 | 334.3 | 4.71 | 50.7 | 0 | — | designed | |
| AFN-000319 | A | R1 F · R2 F · Ar 6-MeO-pyridin-3-yl | C16H12F2N4O | 314.3 | 3.57 | 59.9 | 0 | — | designed | |
| AFN-000320 | A | R1 F · R2 Cl · Ar Phenyl | C16H11ClFN3 | 299.7 | 4.68 | 37.8 | 0 | — | designed | |
| AFN-000321 | A | R1 F · R2 Cl · Ar Pyridin-3-yl | C15H10ClFN4 | 300.7 | 4.07 | 50.7 | 0 | — | designed | |
| AFN-000322 | A | R1 F · R2 Cl · Ar Pyridin-4-yl | C15H10ClFN4 | 300.7 | 4.07 | 50.7 | 0 | — | designed | |
| AFN-000323 | A | R1 F · R2 Cl · Ar Pyridin-2-yl | C15H10ClFN4 | 300.7 | 4.07 | 50.7 | 1 | 7.17 | tested | |
| AFN-000324 | A | R1 F · R2 Cl · Ar 3-F-phenyl | C16H10ClF2N3 | 317.7 | 4.82 | 37.8 | 1 | 7.32 | tested | |
| AFN-000325 | A | R1 F · R2 Cl · Ar 4-F-phenyl | C16H10ClF2N3 | 317.7 | 4.82 | 37.8 | 0 | — | designed | |
| AFN-000326 | A | R1 F · R2 Cl · Ar 3-Cl-phenyl | C16H10Cl2FN3 | 334.2 | 5.33 | 37.8 | 0 | — | designed | |
| AFN-000327 | A | R1 F · R2 Cl · Ar 3-MeO-phenyl | C17H13ClFN3O | 329.8 | 4.69 | 47.0 | 0 | — | designed | |
| AFN-000328 | A | R1 F · R2 Cl · Ar 2-MeO-phenyl | C17H13ClFN3O | 329.8 | 4.69 | 47.0 | 0 | — | designed | |
| AFN-000329 | A | R1 F · R2 Cl · Ar 3-CN-phenyl | C17H10ClFN4 | 324.8 | 4.55 | 61.6 | 1 | 7.75 | tested | |
| AFN-000330 | A | R1 F · R2 Cl · Ar 3,5-diF-phenyl | C16H9ClF3N3 | 335.7 | 4.96 | 37.8 | 0 | — | designed | |
| AFN-000331 | A | R1 F · R2 Cl · Ar Thiophen-2-yl | C14H9ClFN3S | 305.8 | 4.74 | 37.8 | 0 | — | designed | |
| AFN-000332 | A | R1 F · R2 Cl · Ar Thiophen-3-yl | C14H9ClFN3S | 305.8 | 4.74 | 37.8 | 1 | 7.25 | tested | |
| AFN-000333 | A | R1 F · R2 Cl · Ar Furan-3-yl | C14H9ClFN3O | 289.7 | 4.27 | 51.0 | 0 | — | designed | |
| AFN-000334 | A | R1 F · R2 Cl · Ar 1-Me-pyrazol-4-yl | C14H11ClFN5 | 303.7 | 3.41 | 55.6 | 0 | — | designed | |
| AFN-000335 | A | R1 F · R2 Cl · Ar 1-Me-indol-3-yl | C19H14ClFN4 | 352.8 | 5.17 | 42.7 | 0 | — | designed | |
| AFN-000336 | A | R1 F · R2 Cl · Ar Naphthalen-2-yl | C20H13ClFN3 | 349.8 | 5.83 | 37.8 | 0 | — | designed | |
| AFN-000337 | A | R1 F · R2 Cl · Ar Pyrimidin-5-yl | C14H9ClFN5 | 301.7 | 3.47 | 63.6 | 0 | — | designed | |
| AFN-000338 | A | R1 F · R2 Cl · Ar Quinolin-3-yl | C19H12ClFN4 | 350.8 | 5.23 | 50.7 | 0 | — | designed | |
| AFN-000339 | A | R1 F · R2 Cl · Ar 6-MeO-pyridin-3-yl | C16H12ClFN4O | 330.8 | 4.08 | 59.9 | 0 | — | designed | |
| AFN-000340 | A | R1 F · R2 Br · Ar Phenyl | C16H11BrFN3 | 344.2 | 4.79 | 37.8 | 0 | — | designed | |
| AFN-000341 | A | R1 F · R2 Br · Ar Pyridin-3-yl | C15H10BrFN4 | 345.2 | 4.18 | 50.7 | 0 | — | designed | |
| AFN-000342 | A | R1 F · R2 Br · Ar Pyridin-4-yl | C15H10BrFN4 | 345.2 | 4.18 | 50.7 | 0 | — | designed | |
| AFN-000343 | A | R1 F · R2 Br · Ar Pyridin-2-yl | C15H10BrFN4 | 345.2 | 4.18 | 50.7 | 0 | — | designed | |
| AFN-000344 | A | R1 F · R2 Br · Ar 3-F-phenyl | C16H10BrF2N3 | 362.2 | 4.93 | 37.8 | 0 | — | designed | |
| AFN-000345 | A | R1 F · R2 Br · Ar 4-F-phenyl | C16H10BrF2N3 | 362.2 | 4.93 | 37.8 | 0 | — | designed | |
| AFN-000346 | A | R1 F · R2 Br · Ar 3-Cl-phenyl | C16H10BrClFN3 | 378.6 | 5.44 | 37.8 | 0 | — | designed | |
| AFN-000347 | A | R1 F · R2 Br · Ar 3-MeO-phenyl | C17H13BrFN3O | 374.2 | 4.80 | 47.0 | 0 | — | designed | |
| AFN-000348 | A | R1 F · R2 Br · Ar 2-MeO-phenyl | C17H13BrFN3O | 374.2 | 4.80 | 47.0 | 0 | — | designed | |
| AFN-000349 | A | R1 F · R2 Br · Ar 3-CN-phenyl | C17H10BrFN4 | 369.2 | 4.66 | 61.6 | 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