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-002500 | A | R1 SO2Me · R2 H · Ar Phenyl | C17H15N3O2S | 325.4 | 3.29 | 72.0 | 0 | — | designed | |
| AFN-002501 | A | R1 SO2Me · R2 H · Ar Pyridin-3-yl | C16H14N4O2S | 326.4 | 2.69 | 84.8 | 0 | — | designed | |
| AFN-002502 | A | R1 SO2Me · R2 H · Ar Pyridin-4-yl | C16H14N4O2S | 326.4 | 2.69 | 84.8 | 1 | 7.01 | tested | |
| AFN-002503 | A | R1 SO2Me · R2 H · Ar Pyridin-2-yl | C16H14N4O2S | 326.4 | 2.69 | 84.8 | 0 | — | designed | |
| AFN-002504 | A | R1 SO2Me · R2 H · Ar 3-F-phenyl | C17H14FN3O2S | 343.4 | 3.43 | 72.0 | 0 | — | designed | |
| AFN-002505 | A | R1 SO2Me · R2 H · Ar 4-F-phenyl | C17H14FN3O2S | 343.4 | 3.43 | 72.0 | 1 | 7.09 | tested | |
| AFN-002506 | A | R1 SO2Me · R2 H · Ar 3-Cl-phenyl | C17H14ClN3O2S | 359.8 | 3.94 | 72.0 | 1 | 7.06 | tested | |
| AFN-002507 | A | R1 SO2Me · R2 H · Ar 3-MeO-phenyl | C18H17N3O3S | 355.4 | 3.30 | 81.2 | 0 | — | designed | |
| AFN-002508 | A | R1 SO2Me · R2 H · Ar 2-MeO-phenyl | C18H17N3O3S | 355.4 | 3.30 | 81.2 | 0 | — | designed | |
| AFN-002509 | A | R1 SO2Me · R2 H · Ar 3-CN-phenyl | C18H14N4O2S | 350.4 | 3.16 | 95.7 | 0 | — | designed | |
| AFN-002510 | A | R1 SO2Me · R2 H · Ar 3,5-diF-phenyl | C17H13F2N3O2S | 361.4 | 3.57 | 72.0 | 0 | — | designed | |
| AFN-002511 | A | R1 SO2Me · R2 H · Ar Thiophen-2-yl | C15H13N3O2S2 | 331.4 | 3.35 | 72.0 | 0 | — | designed | |
| AFN-002512 | A | R1 SO2Me · R2 H · Ar Thiophen-3-yl | C15H13N3O2S2 | 331.4 | 3.35 | 72.0 | 0 | — | designed | |
| AFN-002513 | A | R1 SO2Me · R2 H · Ar Furan-3-yl | C15H13N3O3S | 315.4 | 2.88 | 85.1 | 0 | — | designed | |
| AFN-002514 | A | R1 SO2Me · R2 H · Ar 1-Me-pyrazol-4-yl | C15H15N5O2S | 329.4 | 2.02 | 89.8 | 0 | — | designed | |
| AFN-002515 | A | R1 SO2Me · R2 H · Ar 1-Me-indol-3-yl | C20H18N4O2S | 378.5 | 3.78 | 76.9 | 0 | — | designed | |
| AFN-002516 | A | R1 SO2Me · R2 H · Ar Naphthalen-2-yl | C21H17N3O2S | 375.4 | 4.44 | 72.0 | 0 | — | designed | |
| AFN-002517 | A | R1 SO2Me · R2 H · Ar Pyrimidin-5-yl | C15H13N5O2S | 327.4 | 2.08 | 97.7 | 0 | — | designed | |
| AFN-002518 | A | R1 SO2Me · R2 H · Ar Quinolin-3-yl | C20H16N4O2S | 376.4 | 3.84 | 84.8 | 1 | 7.50 | tested | |
| AFN-002519 | A | R1 SO2Me · R2 H · Ar 6-MeO-pyridin-3-yl | C17H16N4O3S | 356.4 | 2.69 | 94.1 | 1 | 7.59 | tested | |
| AFN-002520 | A | R1 SO2Me · R2 Me · Ar Phenyl | C18H17N3O2S | 339.4 | 3.60 | 72.0 | 0 | — | designed | |
| AFN-002521 | A | R1 SO2Me · R2 Me · Ar Pyridin-3-yl | C17H16N4O2S | 340.4 | 2.99 | 84.8 | 0 | — | designed | |
| AFN-002522 | A | R1 SO2Me · R2 Me · Ar Pyridin-4-yl | C17H16N4O2S | 340.4 | 2.99 | 84.8 | 0 | — | designed | |
| AFN-002523 | A | R1 SO2Me · R2 Me · Ar Pyridin-2-yl | C17H16N4O2S | 340.4 | 2.99 | 84.8 | 0 | — | designed | |
| AFN-002524 | A | R1 SO2Me · R2 Me · Ar 3-F-phenyl | C18H16FN3O2S | 357.4 | 3.74 | 72.0 | 0 | — | designed | |
| AFN-002525 | A | R1 SO2Me · R2 Me · Ar 4-F-phenyl | C18H16FN3O2S | 357.4 | 3.74 | 72.0 | 0 | — | designed | |
| AFN-002526 | A | R1 SO2Me · R2 Me · Ar 3-Cl-phenyl | C18H16ClN3O2S | 373.9 | 4.25 | 72.0 | 1 | 7.25 | tested | |
| AFN-002527 | A | R1 SO2Me · R2 Me · Ar 3-MeO-phenyl | C19H19N3O3S | 369.4 | 3.61 | 81.2 | 0 | — | designed | |
| AFN-002528 | A | R1 SO2Me · R2 Me · Ar 2-MeO-phenyl | C19H19N3O3S | 369.4 | 3.61 | 81.2 | 0 | — | designed | |
| AFN-002529 | A | R1 SO2Me · R2 Me · Ar 3-CN-phenyl | C19H16N4O2S | 364.4 | 3.47 | 95.7 | 0 | — | designed | |
| AFN-002530 | A | R1 SO2Me · R2 Me · Ar 3,5-diF-phenyl | C18H15F2N3O2S | 375.4 | 3.88 | 72.0 | 0 | — | designed | |
| AFN-002531 | A | R1 SO2Me · R2 Me · Ar Thiophen-2-yl | C16H15N3O2S2 | 345.4 | 3.66 | 72.0 | 0 | — | designed | |
| AFN-002532 | A | R1 SO2Me · R2 Me · Ar Thiophen-3-yl | C16H15N3O2S2 | 345.4 | 3.66 | 72.0 | 0 | — | designed | |
| AFN-002533 | A | R1 SO2Me · R2 Me · Ar Furan-3-yl | C16H15N3O3S | 329.4 | 3.19 | 85.1 | 0 | — | designed | |
| AFN-002534 | A | R1 SO2Me · R2 Me · Ar 1-Me-pyrazol-4-yl | C16H17N5O2S | 343.4 | 2.33 | 89.8 | 0 | — | designed | |
| AFN-002535 | A | R1 SO2Me · R2 Me · Ar 1-Me-indol-3-yl | C21H20N4O2S | 392.5 | 4.09 | 76.9 | 0 | — | designed | |
| AFN-002536 | A | R1 SO2Me · R2 Me · Ar Naphthalen-2-yl | C22H19N3O2S | 389.5 | 4.75 | 72.0 | 0 | — | designed | |
| AFN-002537 | A | R1 SO2Me · R2 Me · Ar Pyrimidin-5-yl | C16H15N5O2S | 341.4 | 2.39 | 97.7 | 0 | — | designed | |
| AFN-002538 | A | R1 SO2Me · R2 Me · Ar Quinolin-3-yl | C21H18N4O2S | 390.5 | 4.15 | 84.8 | 0 | — | designed | |
| AFN-002539 | A | R1 SO2Me · R2 Me · Ar 6-MeO-pyridin-3-yl | C18H18N4O3S | 370.4 | 3.00 | 94.1 | 0 | — | designed | |
| AFN-002540 | A | R1 SO2Me · R2 F · Ar Phenyl | C17H14FN3O2S | 343.4 | 3.43 | 72.0 | 0 | — | designed | |
| AFN-002541 | A | R1 SO2Me · R2 F · Ar Pyridin-3-yl | C16H13FN4O2S | 344.4 | 2.82 | 84.8 | 0 | — | designed | |
| AFN-002542 | A | R1 SO2Me · R2 F · Ar Pyridin-4-yl | C16H13FN4O2S | 344.4 | 2.82 | 84.8 | 0 | — | designed | |
| AFN-002543 | A | R1 SO2Me · R2 F · Ar Pyridin-2-yl | C16H13FN4O2S | 344.4 | 2.82 | 84.8 | 0 | — | designed | |
| AFN-002544 | A | R1 SO2Me · R2 F · Ar 3-F-phenyl | C17H13F2N3O2S | 361.4 | 3.57 | 72.0 | 0 | — | designed | |
| AFN-002545 | A | R1 SO2Me · R2 F · Ar 4-F-phenyl | C17H13F2N3O2S | 361.4 | 3.57 | 72.0 | 0 | — | designed | |
| AFN-002546 | A | R1 SO2Me · R2 F · Ar 3-Cl-phenyl | C17H13ClFN3O2S | 377.8 | 4.08 | 72.0 | 0 | — | designed | |
| AFN-002547 | A | R1 SO2Me · R2 F · Ar 3-MeO-phenyl | C18H16FN3O3S | 373.4 | 3.44 | 81.2 | 0 | — | designed | |
| AFN-002548 | A | R1 SO2Me · R2 F · Ar 2-MeO-phenyl | C18H16FN3O3S | 373.4 | 3.44 | 81.2 | 0 | — | designed | |
| AFN-002549 | A | R1 SO2Me · R2 F · Ar 3-CN-phenyl | C18H13FN4O2S | 368.4 | 3.30 | 95.7 | 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