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-001350 | A | R1 CF3 · R2 CN · Ar 3,5-diF-phenyl | C18H9F5N4 | 376.3 | 5.06 | 61.6 | 0 | — | designed | |
| AFN-001351 | A | R1 CF3 · R2 CN · Ar Thiophen-2-yl | C16H9F3N4S | 346.3 | 4.84 | 61.6 | 0 | — | designed | |
| AFN-001352 | A | R1 CF3 · R2 CN · Ar Thiophen-3-yl | C16H9F3N4S | 346.3 | 4.84 | 61.6 | 0 | — | designed | |
| AFN-001353 | A | R1 CF3 · R2 CN · Ar Furan-3-yl | C16H9F3N4O | 330.3 | 4.37 | 74.7 | 0 | — | designed | |
| AFN-001354 | A | R1 CF3 · R2 CN · Ar 1-Me-pyrazol-4-yl | C16H11F3N6 | 344.3 | 3.51 | 79.4 | 0 | — | designed | |
| AFN-001355 | A | R1 CF3 · R2 CN · Ar 1-Me-indol-3-yl | C21H14F3N5 | 393.4 | 5.27 | 66.5 | 1 | 7.41 | tested | |
| AFN-001356 | A | R1 CF3 · R2 CN · Ar Naphthalen-2-yl | C22H13F3N4 | 390.4 | 5.93 | 61.6 | 0 | — | designed | |
| AFN-001357 | A | R1 CF3 · R2 CN · Ar Pyrimidin-5-yl | C16H9F3N6 | 342.3 | 3.57 | 87.4 | 0 | — | designed | |
| AFN-001358 | A | R1 CF3 · R2 CN · Ar Quinolin-3-yl | C21H12F3N5 | 391.4 | 5.33 | 74.5 | 1 | 7.74 | tested | |
| AFN-001359 | A | R1 CF3 · R2 CN · Ar 6-MeO-pyridin-3-yl | C18H12F3N5O | 371.3 | 4.18 | 83.7 | 0 | — | designed | |
| AFN-001360 | A | R1 CF3 · R2 OMe · Ar Phenyl | C18H14F3N3O | 345.3 | 4.91 | 47.0 | 0 | — | designed | |
| AFN-001361 | A | R1 CF3 · R2 OMe · Ar Pyridin-3-yl | C17H13F3N4O | 346.3 | 4.31 | 59.9 | 0 | — | designed | |
| AFN-001362 | A | R1 CF3 · R2 OMe · Ar Pyridin-4-yl | C17H13F3N4O | 346.3 | 4.31 | 59.9 | 0 | — | designed | |
| AFN-001363 | A | R1 CF3 · R2 OMe · Ar Pyridin-2-yl | C17H13F3N4O | 346.3 | 4.31 | 59.9 | 1 | 7.16 | tested | |
| AFN-001364 | A | R1 CF3 · R2 OMe · Ar 3-F-phenyl | C18H13F4N3O | 363.3 | 5.05 | 47.0 | 0 | — | designed | |
| AFN-001365 | A | R1 CF3 · R2 OMe · Ar 4-F-phenyl | C18H13F4N3O | 363.3 | 5.05 | 47.0 | 0 | — | designed | |
| AFN-001366 | A | R1 CF3 · R2 OMe · Ar 3-Cl-phenyl | C18H13ClF3N3O | 379.8 | 5.57 | 47.0 | 1 | 7.50 | tested | |
| AFN-001367 | A | R1 CF3 · R2 OMe · Ar 3-MeO-phenyl | C19H16F3N3O2 | 375.4 | 4.92 | 56.3 | 1 | 7.60 | tested | |
| AFN-001368 | A | R1 CF3 · R2 OMe · Ar 2-MeO-phenyl | C19H16F3N3O2 | 375.4 | 4.92 | 56.3 | 0 | — | designed | |
| AFN-001369 | A | R1 CF3 · R2 OMe · Ar 3-CN-phenyl | C19H13F3N4O | 370.3 | 4.79 | 70.8 | 0 | — | designed | |
| AFN-001370 | A | R1 CF3 · R2 OMe · Ar 3,5-diF-phenyl | C18H12F5N3O | 381.3 | 5.19 | 47.0 | 0 | — | designed | |
| AFN-001371 | A | R1 CF3 · R2 OMe · Ar Thiophen-2-yl | C16H12F3N3OS | 351.4 | 4.98 | 47.0 | 0 | — | designed | |
| AFN-001372 | A | R1 CF3 · R2 OMe · Ar Thiophen-3-yl | C16H12F3N3OS | 351.4 | 4.98 | 47.0 | 1 | 7.35 | tested | |
| AFN-001373 | A | R1 CF3 · R2 OMe · Ar Furan-3-yl | C16H12F3N3O2 | 335.3 | 4.51 | 60.2 | 0 | — | designed | |
| AFN-001374 | A | R1 CF3 · R2 OMe · Ar 1-Me-pyrazol-4-yl | C16H14F3N5O | 349.3 | 3.65 | 64.9 | 0 | — | designed | |
| AFN-001375 | A | R1 CF3 · R2 OMe · Ar 1-Me-indol-3-yl | C21H17F3N4O | 398.4 | 5.41 | 52.0 | 0 | — | designed | |
| AFN-001376 | A | R1 CF3 · R2 OMe · Ar Naphthalen-2-yl | C22H16F3N3O | 395.4 | 6.07 | 47.0 | 0 | — | designed | |
| AFN-001377 | A | R1 CF3 · R2 OMe · Ar Pyrimidin-5-yl | C16H12F3N5O | 347.3 | 3.70 | 72.8 | 0 | — | designed | |
| AFN-001378 | A | R1 CF3 · R2 OMe · Ar Quinolin-3-yl | C21H15F3N4O | 396.4 | 5.46 | 59.9 | 0 | — | designed | |
| AFN-001379 | A | R1 CF3 · R2 OMe · Ar 6-MeO-pyridin-3-yl | C18H15F3N4O2 | 376.3 | 4.32 | 69.2 | 1 | 7.60 | tested | |
| AFN-001380 | A | R1 OMe · R2 H · Ar Phenyl | C17H15N3O | 277.3 | 3.90 | 47.0 | 0 | — | designed | |
| AFN-001381 | A | R1 OMe · R2 H · Ar Pyridin-3-yl | C16H14N4O | 278.3 | 3.29 | 59.9 | 0 | — | designed | |
| AFN-001382 | A | R1 OMe · R2 H · Ar Pyridin-4-yl | C16H14N4O | 278.3 | 3.29 | 59.9 | 0 | — | designed | |
| AFN-001383 | A | R1 OMe · R2 H · Ar Pyridin-2-yl | C16H14N4O | 278.3 | 3.29 | 59.9 | 0 | — | designed | |
| AFN-001384 | A | R1 OMe · R2 H · Ar 3-F-phenyl | C17H14FN3O | 295.3 | 4.03 | 47.0 | 1 | 7.68 | tested | |
| AFN-001385 | A | R1 OMe · R2 H · Ar 4-F-phenyl | C17H14FN3O | 295.3 | 4.03 | 47.0 | 0 | — | designed | |
| AFN-001386 | A | R1 OMe · R2 H · Ar 3-Cl-phenyl | C17H14ClN3O | 311.8 | 4.55 | 47.0 | 0 | — | designed | |
| AFN-001387 | A | R1 OMe · R2 H · Ar 3-MeO-phenyl | C18H17N3O2 | 307.4 | 3.90 | 56.3 | 0 | — | designed | |
| AFN-001388 | A | R1 OMe · R2 H · Ar 2-MeO-phenyl | C18H17N3O2 | 307.4 | 3.90 | 56.3 | 1 | 6.94 | tested | |
| AFN-001389 | A | R1 OMe · R2 H · Ar 3-CN-phenyl | C18H14N4O | 302.3 | 3.77 | 70.8 | 0 | — | designed | |
| AFN-001390 | A | R1 OMe · R2 H · Ar 3,5-diF-phenyl | C17H13F2N3O | 313.3 | 4.17 | 47.0 | 1 | 7.36 | tested | |
| AFN-001391 | A | R1 OMe · R2 H · Ar Thiophen-2-yl | C15H13N3OS | 283.4 | 3.96 | 47.0 | 0 | — | designed | |
| AFN-001392 | A | R1 OMe · R2 H · Ar Thiophen-3-yl | C15H13N3OS | 283.4 | 3.96 | 47.0 | 0 | — | designed | |
| AFN-001393 | A | R1 OMe · R2 H · Ar Furan-3-yl | C15H13N3O2 | 267.3 | 3.49 | 60.2 | 1 | 7.18 | tested | |
| AFN-001394 | A | R1 OMe · R2 H · Ar 1-Me-pyrazol-4-yl | C15H15N5O | 281.3 | 2.63 | 64.9 | 0 | — | designed | |
| AFN-001395 | A | R1 OMe · R2 H · Ar 1-Me-indol-3-yl | C20H18N4O | 330.4 | 4.39 | 52.0 | 0 | — | designed | |
| AFN-001396 | A | R1 OMe · R2 H · Ar Naphthalen-2-yl | C21H17N3O | 327.4 | 5.05 | 47.0 | 0 | — | designed | |
| AFN-001397 | A | R1 OMe · R2 H · Ar Pyrimidin-5-yl | C15H13N5O | 279.3 | 2.69 | 72.8 | 0 | — | designed | |
| AFN-001398 | A | R1 OMe · R2 H · Ar Quinolin-3-yl | C20H16N4O | 328.4 | 4.44 | 59.9 | 0 | — | designed | |
| AFN-001399 | A | R1 OMe · R2 H · Ar 6-MeO-pyridin-3-yl | C17H16N4O2 | 308.3 | 3.30 | 69.2 | 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