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-003450 | B | R1 Br · R6 H · R7 Cl | C14H9BrClN3 | 334.6 | 4.79 | 37.8 | 0 | — | designed | |
| AFN-003451 | B | R1 Br · R6 H · R7 OH | C14H10BrN3O | 316.2 | 3.84 | 58.0 | 0 | — | designed | |
| AFN-003452 | B | R1 Br · R6 OMe · R7 H | C15H12BrN3O | 330.2 | 4.14 | 47.0 | 0 | — | designed | |
| AFN-003453 | B | R1 Br · R6 OMe · R7 OMe | C16H14BrN3O2 | 360.2 | 4.15 | 56.3 | 0 | — | designed | |
| AFN-003454 | B | R1 Br · R6 OMe · R7 OEt | C17H16BrN3O2 | 374.2 | 4.54 | 56.3 | 0 | — | designed | |
| AFN-003455 | B | R1 Br · R6 OMe · R7 OCH2CH2OMe | C18H18BrN3O3 | 404.3 | 4.17 | 65.5 | 0 | — | designed | |
| AFN-003456 | B | R1 Br · R6 OMe · R7 F | C15H11BrFN3O | 348.2 | 4.28 | 47.0 | 0 | — | designed | |
| AFN-003457 | B | R1 Br · R6 OMe · R7 O(CH2)2-morpholino | C21H23BrN4O3 | 459.3 | 3.86 | 68.7 | 0 | — | designed | |
| AFN-003458 | B | R1 Br · R6 OMe · R7 Cl | C15H11BrClN3O | 364.6 | 4.80 | 47.0 | 0 | — | designed | |
| AFN-003459 | B | R1 Br · R6 OMe · R7 OH | C15H12BrN3O2 | 346.2 | 3.85 | 67.3 | 0 | — | designed | |
| AFN-003460 | B | R1 Br · R6 OEt · R7 H | C16H14BrN3O | 344.2 | 4.53 | 47.0 | 0 | — | designed | |
| AFN-003461 | B | R1 Br · R6 OEt · R7 OMe | C17H16BrN3O2 | 374.2 | 4.54 | 56.3 | 0 | — | designed | |
| AFN-003462 | B | R1 Br · R6 OEt · R7 OEt | C18H18BrN3O2 | 388.3 | 4.93 | 56.3 | 0 | — | designed | |
| AFN-003463 | B | R1 Br · R6 OEt · R7 OCH2CH2OMe | C19H20BrN3O3 | 418.3 | 4.56 | 65.5 | 0 | — | designed | |
| AFN-003464 | B | R1 Br · R6 OEt · R7 F | C16H13BrFN3O | 362.2 | 4.67 | 47.0 | 0 | — | designed | |
| AFN-003465 | B | R1 Br · R6 OEt · R7 O(CH2)2-morpholino | C22H25BrN4O3 | 473.4 | 4.25 | 68.7 | 1 | 6.59 | tested | |
| AFN-003466 | B | R1 Br · R6 OEt · R7 Cl | C16H13BrClN3O | 378.7 | 5.19 | 47.0 | 1 | 6.60 | tested | |
| AFN-003467 | B | R1 Br · R6 OEt · R7 OH | C16H14BrN3O2 | 360.2 | 4.24 | 67.3 | 1 | 6.58 | tested | |
| AFN-003468 | B | R1 Br · R6 OCH2CH2OMe · R7 H | C17H16BrN3O2 | 374.2 | 4.16 | 56.3 | 1 | 6.78 | tested | |
| AFN-003469 | B | R1 Br · R6 OCH2CH2OMe · R7 OMe | C18H18BrN3O3 | 404.3 | 4.17 | 65.5 | 0 | — | designed | |
| AFN-003470 | B | R1 Br · R6 OCH2CH2OMe · R7 OEt | C19H20BrN3O3 | 418.3 | 4.56 | 65.5 | 0 | — | designed | |
| AFN-003471 | B | R1 Br · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C20H22BrN3O4 | 448.3 | 4.19 | 74.7 | 0 | — | designed | |
| AFN-003472 | B | R1 Br · R6 OCH2CH2OMe · R7 F | C17H15BrFN3O2 | 392.2 | 4.30 | 56.3 | 1 | 6.69 | tested | |
| AFN-003473 | B | R1 Br · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C23H27BrN4O4 | 503.4 | 3.87 | 78.0 | 0 | — | designed | |
| AFN-003474 | B | R1 Br · R6 OCH2CH2OMe · R7 Cl | C17H15BrClN3O2 | 408.7 | 4.81 | 56.3 | 0 | — | designed | |
| AFN-003475 | B | R1 Br · R6 OCH2CH2OMe · R7 OH | C17H16BrN3O3 | 390.2 | 3.87 | 76.5 | 1 | 6.28 | tested | |
| AFN-003476 | B | R1 Br · R6 O(CH2)3-morpholino · R7 H | C21H23BrN4O2 | 443.4 | 4.24 | 59.5 | 1 | 6.79 | tested | |
| AFN-003477 | B | R1 Br · R6 O(CH2)3-morpholino · R7 OMe | C22H25BrN4O3 | 473.4 | 4.25 | 68.7 | 0 | — | designed | |
| AFN-003478 | B | R1 Br · R6 O(CH2)3-morpholino · R7 OEt | C23H27BrN4O3 | 487.4 | 4.64 | 68.7 | 0 | — | designed | |
| AFN-003479 | B | R1 Br · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C24H29BrN4O4 | 517.4 | 4.26 | 78.0 | 0 | — | designed | |
| AFN-003480 | B | R1 Br · R6 O(CH2)3-morpholino · R7 F | C21H22BrFN4O2 | 461.3 | 4.38 | 59.5 | 0 | — | designed | |
| AFN-003481 | B | R1 Br · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C27H34BrN5O4 | 572.5 | 3.95 | 81.2 | 0 | — | designed | |
| AFN-003482 | B | R1 Br · R6 O(CH2)3-morpholino · R7 Cl | C21H22BrClN4O2 | 477.8 | 4.89 | 59.5 | 0 | — | designed | |
| AFN-003483 | B | R1 Br · R6 O(CH2)3-morpholino · R7 OH | C21H23BrN4O3 | 459.3 | 3.94 | 79.7 | 0 | — | designed | |
| AFN-003484 | B | R1 Br · R6 acrylamido · R7 H | C17H13BrN4O | 369.2 | 4.26 | 66.9 | 0 | — | designed | |
| AFN-003485 | B | R1 Br · R6 acrylamido · R7 OMe | C18H15BrN4O2 | 399.3 | 4.27 | 76.1 | 0 | — | designed | |
| AFN-003486 | B | R1 Br · R6 acrylamido · R7 OEt | C19H17BrN4O2 | 413.3 | 4.66 | 76.1 | 0 | — | designed | |
| AFN-003487 | B | R1 Br · R6 acrylamido · R7 OCH2CH2OMe | C20H19BrN4O3 | 443.3 | 4.29 | 85.4 | 0 | — | designed | |
| AFN-003488 | B | R1 Br · R6 acrylamido · R7 F | C17H12BrFN4O | 387.2 | 4.40 | 66.9 | 0 | — | designed | |
| AFN-003489 | B | R1 Br · R6 acrylamido · R7 O(CH2)2-morpholino | C23H24BrN5O3 | 498.4 | 3.97 | 88.6 | 0 | — | designed | |
| AFN-003490 | B | R1 Br · R6 acrylamido · R7 Cl | C17H12BrClN4O | 403.7 | 4.91 | 66.9 | 0 | — | designed | |
| AFN-003491 | B | R1 Br · R6 acrylamido · R7 OH | C17H13BrN4O2 | 385.2 | 3.97 | 87.1 | 1 | 7.45 | tested | |
| AFN-003492 | B | R1 Me · R6 H · R7 H | C15H13N3 | 235.3 | 3.68 | 37.8 | 0 | — | designed | |
| AFN-003493 | B | R1 Me · R6 H · R7 OMe | C16H15N3O | 265.3 | 3.69 | 47.0 | 0 | — | designed | |
| AFN-003494 | B | R1 Me · R6 H · R7 OEt | C17H17N3O | 279.3 | 4.08 | 47.0 | 0 | — | designed | |
| AFN-003495 | B | R1 Me · R6 H · R7 OCH2CH2OMe | C18H19N3O2 | 309.4 | 3.71 | 56.3 | 1 | 6.25 | tested | |
| AFN-003496 | B | R1 Me · R6 H · R7 F | C15H12FN3 | 253.3 | 3.82 | 37.8 | 0 | — | designed | |
| AFN-003497 | B | R1 Me · R6 H · R7 O(CH2)2-morpholino | C21H24N4O2 | 364.4 | 3.39 | 59.5 | 0 | — | designed | |
| AFN-003498 | B | R1 Me · R6 H · R7 Cl | C15H12ClN3 | 269.7 | 4.34 | 37.8 | 0 | — | designed | |
| AFN-003499 | B | R1 Me · R6 H · R7 OH | C15H13N3O | 251.3 | 3.39 | 58.0 | 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