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-003350 | B | R1 F · R6 H · R7 OEt | C16H14FN3O | 283.3 | 3.91 | 47.0 | 0 | — | designed | |
| AFN-003351 | B | R1 F · R6 H · R7 OCH2CH2OMe | C17H16FN3O2 | 313.3 | 3.54 | 56.3 | 0 | — | designed | |
| AFN-003352 | B | R1 F · R6 H · R7 F | C14H9F2N3 | 257.2 | 3.65 | 37.8 | 1 | 6.21 | tested | |
| AFN-003353 | B | R1 F · R6 H · R7 O(CH2)2-morpholino | C20H21FN4O2 | 368.4 | 3.22 | 59.5 | 0 | — | designed | |
| AFN-003354 | B | R1 F · R6 H · R7 Cl | C14H9ClFN3 | 273.7 | 4.17 | 37.8 | 0 | — | designed | |
| AFN-003355 | B | R1 F · R6 H · R7 OH | C14H10FN3O | 255.3 | 3.22 | 58.0 | 0 | — | designed | |
| AFN-003356 | B | R1 F · R6 OMe · R7 H | C15H12FN3O | 269.3 | 3.52 | 47.0 | 0 | — | designed | |
| AFN-003357 | B | R1 F · R6 OMe · R7 OMe | C16H14FN3O2 | 299.3 | 3.53 | 56.3 | 0 | — | designed | |
| AFN-003358 | B | R1 F · R6 OMe · R7 OEt | C17H16FN3O2 | 313.3 | 3.92 | 56.3 | 0 | — | designed | |
| AFN-003359 | B | R1 F · R6 OMe · R7 OCH2CH2OMe | C18H18FN3O3 | 343.4 | 3.55 | 65.5 | 0 | — | designed | |
| AFN-003360 | B | R1 F · R6 OMe · R7 F | C15H11F2N3O | 287.3 | 3.66 | 47.0 | 0 | — | designed | |
| AFN-003361 | B | R1 F · R6 OMe · R7 O(CH2)2-morpholino | C21H23FN4O3 | 398.4 | 3.23 | 68.7 | 0 | — | designed | |
| AFN-003362 | B | R1 F · R6 OMe · R7 Cl | C15H11ClFN3O | 303.7 | 4.17 | 47.0 | 0 | — | designed | |
| AFN-003363 | B | R1 F · R6 OMe · R7 OH | C15H12FN3O2 | 285.3 | 3.23 | 67.3 | 0 | — | designed | |
| AFN-003364 | B | R1 F · R6 OEt · R7 H | C16H14FN3O | 283.3 | 3.91 | 47.0 | 0 | — | designed | |
| AFN-003365 | B | R1 F · R6 OEt · R7 OMe | C17H16FN3O2 | 313.3 | 3.92 | 56.3 | 0 | — | designed | |
| AFN-003366 | B | R1 F · R6 OEt · R7 OEt | C18H18FN3O2 | 327.4 | 4.31 | 56.3 | 0 | — | designed | |
| AFN-003367 | B | R1 F · R6 OEt · R7 OCH2CH2OMe | C19H20FN3O3 | 357.4 | 3.94 | 65.5 | 0 | — | designed | |
| AFN-003368 | B | R1 F · R6 OEt · R7 F | C16H13F2N3O | 301.3 | 4.05 | 47.0 | 0 | — | designed | |
| AFN-003369 | B | R1 F · R6 OEt · R7 O(CH2)2-morpholino | C22H25FN4O3 | 412.5 | 3.62 | 68.7 | 0 | — | designed | |
| AFN-003370 | B | R1 F · R6 OEt · R7 Cl | C16H13ClFN3O | 317.8 | 4.56 | 47.0 | 0 | — | designed | |
| AFN-003371 | B | R1 F · R6 OEt · R7 OH | C16H14FN3O2 | 299.3 | 3.62 | 67.3 | 0 | — | designed | |
| AFN-003372 | B | R1 F · R6 OCH2CH2OMe · R7 H | C17H16FN3O2 | 313.3 | 3.54 | 56.3 | 0 | — | designed | |
| AFN-003373 | B | R1 F · R6 OCH2CH2OMe · R7 OMe | C18H18FN3O3 | 343.4 | 3.55 | 65.5 | 0 | — | designed | |
| AFN-003374 | B | R1 F · R6 OCH2CH2OMe · R7 OEt | C19H20FN3O3 | 357.4 | 3.94 | 65.5 | 0 | — | designed | |
| AFN-003375 | B | R1 F · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C20H22FN3O4 | 387.4 | 3.56 | 74.7 | 0 | — | designed | |
| AFN-003376 | B | R1 F · R6 OCH2CH2OMe · R7 F | C17H15F2N3O2 | 331.3 | 3.68 | 56.3 | 0 | — | designed | |
| AFN-003377 | B | R1 F · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C23H27FN4O4 | 442.5 | 3.25 | 78.0 | 0 | — | designed | |
| AFN-003378 | B | R1 F · R6 OCH2CH2OMe · R7 Cl | C17H15ClFN3O2 | 347.8 | 4.19 | 56.3 | 0 | — | designed | |
| AFN-003379 | B | R1 F · R6 OCH2CH2OMe · R7 OH | C17H16FN3O3 | 329.3 | 3.24 | 76.5 | 0 | — | designed | |
| AFN-003380 | B | R1 F · R6 O(CH2)3-morpholino · R7 H | C21H23FN4O2 | 382.4 | 3.61 | 59.5 | 0 | — | designed | |
| AFN-003381 | B | R1 F · R6 O(CH2)3-morpholino · R7 OMe | C22H25FN4O3 | 412.5 | 3.62 | 68.7 | 0 | — | designed | |
| AFN-003382 | B | R1 F · R6 O(CH2)3-morpholino · R7 OEt | C23H27FN4O3 | 426.5 | 4.01 | 68.7 | 1 | 6.69 | tested | |
| AFN-003383 | B | R1 F · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C24H29FN4O4 | 456.5 | 3.64 | 78.0 | 0 | — | designed | |
| AFN-003384 | B | R1 F · R6 O(CH2)3-morpholino · R7 F | C21H22F2N4O2 | 400.4 | 3.75 | 59.5 | 0 | — | designed | |
| AFN-003385 | B | R1 F · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C27H34FN5O4 | 511.6 | 3.32 | 81.2 | 0 | — | designed | |
| AFN-003386 | B | R1 F · R6 O(CH2)3-morpholino · R7 Cl | C21H22ClFN4O2 | 416.9 | 4.27 | 59.5 | 0 | — | designed | |
| AFN-003387 | B | R1 F · R6 O(CH2)3-morpholino · R7 OH | C21H23FN4O3 | 398.4 | 3.32 | 79.7 | 1 | — | tested | |
| AFN-003388 | B | R1 F · R6 acrylamido · R7 H | C17H13FN4O | 308.3 | 3.64 | 66.9 | 0 | — | designed | |
| AFN-003389 | B | R1 F · R6 acrylamido · R7 OMe | C18H15FN4O2 | 338.3 | 3.65 | 76.1 | 0 | — | designed | |
| AFN-003390 | B | R1 F · R6 acrylamido · R7 OEt | C19H17FN4O2 | 352.4 | 4.04 | 76.1 | 0 | — | designed | |
| AFN-003391 | B | R1 F · R6 acrylamido · R7 OCH2CH2OMe | C20H19FN4O3 | 382.4 | 3.66 | 85.4 | 0 | — | designed | |
| AFN-003392 | B | R1 F · R6 acrylamido · R7 F | C17H12F2N4O | 326.3 | 3.78 | 66.9 | 0 | — | designed | |
| AFN-003393 | B | R1 F · R6 acrylamido · R7 O(CH2)2-morpholino | C23H24FN5O3 | 437.5 | 3.35 | 88.6 | 1 | — | tested | |
| AFN-003394 | B | R1 F · R6 acrylamido · R7 Cl | C17H12ClFN4O | 342.8 | 4.29 | 66.9 | 0 | — | designed | |
| AFN-003395 | B | R1 F · R6 acrylamido · R7 OH | C17H13FN4O2 | 324.3 | 3.34 | 87.1 | 0 | — | designed | |
| AFN-003396 | B | R1 Cl · R6 H · R7 H | C14H10ClN3 | 255.7 | 4.03 | 37.8 | 0 | — | designed | |
| AFN-003397 | B | R1 Cl · R6 H · R7 OMe | C15H12ClN3O | 285.7 | 4.04 | 47.0 | 0 | — | designed | |
| AFN-003398 | B | R1 Cl · R6 H · R7 OEt | C16H14ClN3O | 299.8 | 4.43 | 47.0 | 0 | — | designed | |
| AFN-003399 | B | R1 Cl · R6 H · R7 OCH2CH2OMe | C17H16ClN3O2 | 329.8 | 4.05 | 56.3 | 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