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-002350 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar 3,5-diF-phenyl | C21H21F2N5 | 381.4 | 3.92 | 44.3 | 0 | — | designed | |
| AFN-002351 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar Thiophen-2-yl | C19H21N5S | 351.5 | 3.70 | 44.3 | 0 | — | designed | |
| AFN-002352 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar Thiophen-3-yl | C19H21N5S | 351.5 | 3.70 | 44.3 | 1 | 7.36 | tested | |
| AFN-002353 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar Furan-3-yl | C19H21N5O | 335.4 | 3.23 | 57.4 | 0 | — | designed | |
| AFN-002354 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar 1-Me-pyrazol-4-yl | C19H23N7 | 349.4 | 2.37 | 62.1 | 0 | — | designed | |
| AFN-002355 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar 1-Me-indol-3-yl | C24H26N6 | 398.5 | 4.13 | 49.2 | 0 | — | designed | |
| AFN-002356 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar Naphthalen-2-yl | C25H25N5 | 395.5 | 4.79 | 44.3 | 0 | — | designed | |
| AFN-002357 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar Pyrimidin-5-yl | C19H21N7 | 347.4 | 2.43 | 70.1 | 0 | — | designed | |
| AFN-002358 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar Quinolin-3-yl | C24H24N6 | 396.5 | 4.19 | 57.2 | 0 | — | designed | |
| AFN-002359 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar 6-MeO-pyridin-3-yl | C21H24N6O | 376.5 | 3.04 | 66.4 | 0 | — | designed | |
| AFN-002360 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar Phenyl | C22H25N5 | 359.5 | 3.95 | 44.3 | 0 | — | designed | |
| AFN-002361 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar Pyridin-3-yl | C21H24N6 | 360.5 | 3.34 | 57.2 | 0 | — | designed | |
| AFN-002362 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar Pyridin-4-yl | C21H24N6 | 360.5 | 3.34 | 57.2 | 0 | — | designed | |
| AFN-002363 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar Pyridin-2-yl | C21H24N6 | 360.5 | 3.34 | 57.2 | 0 | — | designed | |
| AFN-002364 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar 3-F-phenyl | C22H24FN5 | 377.5 | 4.09 | 44.3 | 0 | — | designed | |
| AFN-002365 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar 4-F-phenyl | C22H24FN5 | 377.5 | 4.09 | 44.3 | 0 | — | designed | |
| AFN-002366 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar 3-Cl-phenyl | C22H24ClN5 | 393.9 | 4.60 | 44.3 | 1 | 7.77 | tested | |
| AFN-002367 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar 3-MeO-phenyl | C23H27N5O | 389.5 | 3.96 | 53.5 | 1 | 7.81 | tested | |
| AFN-002368 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar 2-MeO-phenyl | C23H27N5O | 389.5 | 3.96 | 53.5 | 1 | 7.47 | tested | |
| AFN-002369 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar 3-CN-phenyl | C23H24N6 | 384.5 | 3.82 | 68.1 | 0 | — | designed | |
| AFN-002370 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar 3,5-diF-phenyl | C22H23F2N5 | 395.5 | 4.23 | 44.3 | 0 | — | designed | |
| AFN-002371 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar Thiophen-2-yl | C20H23N5S | 365.5 | 4.01 | 44.3 | 0 | — | designed | |
| AFN-002372 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar Thiophen-3-yl | C20H23N5S | 365.5 | 4.01 | 44.3 | 0 | — | designed | |
| AFN-002373 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar Furan-3-yl | C20H23N5O | 349.4 | 3.54 | 57.4 | 0 | — | designed | |
| AFN-002374 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar 1-Me-pyrazol-4-yl | C20H25N7 | 363.5 | 2.68 | 62.1 | 0 | — | designed | |
| AFN-002375 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar 1-Me-indol-3-yl | C25H28N6 | 412.5 | 4.44 | 49.2 | 0 | — | designed | |
| AFN-002376 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar Naphthalen-2-yl | C26H27N5 | 409.5 | 5.10 | 44.3 | 0 | — | designed | |
| AFN-002377 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar Pyrimidin-5-yl | C20H23N7 | 361.4 | 2.74 | 70.1 | 0 | — | designed | |
| AFN-002378 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar Quinolin-3-yl | C25H26N6 | 410.5 | 4.50 | 57.2 | 0 | — | designed | |
| AFN-002379 | A | R1 4-Me-piperazin-1-yl · R2 Me · Ar 6-MeO-pyridin-3-yl | C22H26N6O | 390.5 | 3.35 | 66.4 | 0 | — | designed | |
| AFN-002380 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar Phenyl | C21H22FN5 | 363.4 | 3.78 | 44.3 | 0 | — | designed | |
| AFN-002381 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar Pyridin-3-yl | C20H21FN6 | 364.4 | 3.17 | 57.2 | 1 | 8.18 | tested | |
| AFN-002382 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar Pyridin-4-yl | C20H21FN6 | 364.4 | 3.17 | 57.2 | 0 | — | designed | |
| AFN-002383 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar Pyridin-2-yl | C20H21FN6 | 364.4 | 3.17 | 57.2 | 0 | — | designed | |
| AFN-002384 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar 3-F-phenyl | C21H21F2N5 | 381.4 | 3.92 | 44.3 | 0 | — | designed | |
| AFN-002385 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar 4-F-phenyl | C21H21F2N5 | 381.4 | 3.92 | 44.3 | 0 | — | designed | |
| AFN-002386 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar 3-Cl-phenyl | C21H21ClFN5 | 397.9 | 4.43 | 44.3 | 0 | — | designed | |
| AFN-002387 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar 3-MeO-phenyl | C22H24FN5O | 393.5 | 3.79 | 53.5 | 0 | — | designed | |
| AFN-002388 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar 2-MeO-phenyl | C22H24FN5O | 393.5 | 3.79 | 53.5 | 0 | — | designed | |
| AFN-002389 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar 3-CN-phenyl | C22H21FN6 | 388.4 | 3.65 | 68.1 | 0 | — | designed | |
| AFN-002390 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar 3,5-diF-phenyl | C21H20F3N5 | 399.4 | 4.06 | 44.3 | 0 | — | designed | |
| AFN-002391 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar Thiophen-2-yl | C19H20FN5S | 369.5 | 3.84 | 44.3 | 1 | 7.75 | tested | |
| AFN-002392 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar Thiophen-3-yl | C19H20FN5S | 369.5 | 3.84 | 44.3 | 0 | — | designed | |
| AFN-002393 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar Furan-3-yl | C19H20FN5O | 353.4 | 3.37 | 57.4 | 0 | — | designed | |
| AFN-002394 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar 1-Me-pyrazol-4-yl | C19H22FN7 | 367.4 | 2.51 | 62.1 | 0 | — | designed | |
| AFN-002395 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar 1-Me-indol-3-yl | C24H25FN6 | 416.5 | 4.27 | 49.2 | 0 | — | designed | |
| AFN-002396 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar Naphthalen-2-yl | C25H24FN5 | 413.5 | 4.93 | 44.3 | 0 | — | designed | |
| AFN-002397 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar Pyrimidin-5-yl | C19H20FN7 | 365.4 | 2.57 | 70.1 | 1 | 8.08 | tested | |
| AFN-002398 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar Quinolin-3-yl | C24H23FN6 | 414.5 | 4.33 | 57.2 | 1 | 8.05 | tested | |
| AFN-002399 | A | R1 4-Me-piperazin-1-yl · R2 F · Ar 6-MeO-pyridin-3-yl | C21H23FN6O | 394.4 | 3.18 | 66.4 | 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