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-000500 | A | R1 Cl · R2 Br · Ar Phenyl | C16H11BrClN3 | 360.6 | 5.30 | 37.8 | 0 | — | designed | |
| AFN-000501 | A | R1 Cl · R2 Br · Ar Pyridin-3-yl | C15H10BrClN4 | 361.6 | 4.70 | 50.7 | 0 | — | designed | |
| AFN-000502 | A | R1 Cl · R2 Br · Ar Pyridin-4-yl | C15H10BrClN4 | 361.6 | 4.70 | 50.7 | 0 | — | designed | |
| AFN-000503 | A | R1 Cl · R2 Br · Ar Pyridin-2-yl | C15H10BrClN4 | 361.6 | 4.70 | 50.7 | 0 | — | designed | |
| AFN-000504 | A | R1 Cl · R2 Br · Ar 3-F-phenyl | C16H10BrClFN3 | 378.6 | 5.44 | 37.8 | 0 | — | designed | |
| AFN-000505 | A | R1 Cl · R2 Br · Ar 4-F-phenyl | C16H10BrClFN3 | 378.6 | 5.44 | 37.8 | 0 | — | designed | |
| AFN-000506 | A | R1 Cl · R2 Br · Ar 3-Cl-phenyl | C16H10BrCl2N3 | 395.1 | 5.96 | 37.8 | 0 | — | designed | |
| AFN-000507 | A | R1 Cl · R2 Br · Ar 3-MeO-phenyl | C17H13BrClN3O | 390.7 | 5.31 | 47.0 | 0 | — | designed | |
| AFN-000508 | A | R1 Cl · R2 Br · Ar 2-MeO-phenyl | C17H13BrClN3O | 390.7 | 5.31 | 47.0 | 0 | — | designed | |
| AFN-000509 | A | R1 Cl · R2 Br · Ar 3-CN-phenyl | C17H10BrClN4 | 385.6 | 5.17 | 61.6 | 1 | 7.82 | tested | |
| AFN-000510 | A | R1 Cl · R2 Br · Ar 3,5-diF-phenyl | C16H9BrClF2N3 | 396.6 | 5.58 | 37.8 | 0 | — | designed | |
| AFN-000511 | A | R1 Cl · R2 Br · Ar Thiophen-2-yl | C14H9BrClN3S | 366.7 | 5.36 | 37.8 | 0 | — | designed | |
| AFN-000512 | A | R1 Cl · R2 Br · Ar Thiophen-3-yl | C14H9BrClN3S | 366.7 | 5.36 | 37.8 | 0 | — | designed | |
| AFN-000513 | A | R1 Cl · R2 Br · Ar Furan-3-yl | C14H9BrClN3O | 350.6 | 4.90 | 51.0 | 0 | — | designed | |
| AFN-000514 | A | R1 Cl · R2 Br · Ar 1-Me-pyrazol-4-yl | C14H11BrClN5 | 364.6 | 4.04 | 55.6 | 1 | 7.52 | tested | |
| AFN-000515 | A | R1 Cl · R2 Br · Ar 1-Me-indol-3-yl | C19H14BrClN4 | 413.7 | 5.79 | 42.7 | 0 | — | designed | |
| AFN-000516 | A | R1 Cl · R2 Br · Ar Naphthalen-2-yl | C20H13BrClN3 | 410.7 | 6.46 | 37.8 | 0 | — | designed | |
| AFN-000517 | A | R1 Cl · R2 Br · Ar Pyrimidin-5-yl | C14H9BrClN5 | 362.6 | 4.09 | 63.6 | 0 | — | designed | |
| AFN-000518 | A | R1 Cl · R2 Br · Ar Quinolin-3-yl | C19H12BrClN4 | 411.7 | 5.85 | 50.7 | 0 | — | designed | |
| AFN-000519 | A | R1 Cl · R2 Br · Ar 6-MeO-pyridin-3-yl | C16H12BrClN4O | 391.7 | 4.71 | 59.9 | 0 | — | designed | |
| AFN-000520 | A | R1 Cl · R2 CF3 · Ar Phenyl | C17H11ClF3N3 | 349.7 | 5.56 | 37.8 | 1 | — | tested | |
| AFN-000521 | A | R1 Cl · R2 CF3 · Ar Pyridin-3-yl | C16H10ClF3N4 | 350.7 | 4.95 | 50.7 | 0 | — | designed | |
| AFN-000522 | A | R1 Cl · R2 CF3 · Ar Pyridin-4-yl | C16H10ClF3N4 | 350.7 | 4.95 | 50.7 | 0 | — | designed | |
| AFN-000523 | A | R1 Cl · R2 CF3 · Ar Pyridin-2-yl | C16H10ClF3N4 | 350.7 | 4.95 | 50.7 | 0 | — | designed | |
| AFN-000524 | A | R1 Cl · R2 CF3 · Ar 3-F-phenyl | C17H10ClF4N3 | 367.7 | 5.70 | 37.8 | 0 | — | designed | |
| AFN-000525 | A | R1 Cl · R2 CF3 · Ar 4-F-phenyl | C17H10ClF4N3 | 367.7 | 5.70 | 37.8 | 0 | — | designed | |
| AFN-000526 | A | R1 Cl · R2 CF3 · Ar 3-Cl-phenyl | C17H10Cl2F3N3 | 384.2 | 6.21 | 37.8 | 1 | 7.30 | tested | |
| AFN-000527 | A | R1 Cl · R2 CF3 · Ar 3-MeO-phenyl | C18H13ClF3N3O | 379.8 | 5.57 | 47.0 | 0 | — | designed | |
| AFN-000528 | A | R1 Cl · R2 CF3 · Ar 2-MeO-phenyl | C18H13ClF3N3O | 379.8 | 5.57 | 47.0 | 0 | — | designed | |
| AFN-000529 | A | R1 Cl · R2 CF3 · Ar 3-CN-phenyl | C18H10ClF3N4 | 374.8 | 5.43 | 61.6 | 0 | — | designed | |
| AFN-000530 | A | R1 Cl · R2 CF3 · Ar 3,5-diF-phenyl | C17H9ClF5N3 | 385.7 | 5.84 | 37.8 | 0 | — | designed | |
| AFN-000531 | A | R1 Cl · R2 CF3 · Ar Thiophen-2-yl | C15H9ClF3N3S | 355.8 | 5.62 | 37.8 | 0 | — | designed | |
| AFN-000532 | A | R1 Cl · R2 CF3 · Ar Thiophen-3-yl | C15H9ClF3N3S | 355.8 | 5.62 | 37.8 | 1 | 7.09 | tested | |
| AFN-000533 | A | R1 Cl · R2 CF3 · Ar Furan-3-yl | C15H9ClF3N3O | 339.7 | 5.15 | 51.0 | 0 | — | designed | |
| AFN-000534 | A | R1 Cl · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C15H11ClF3N5 | 353.7 | 4.29 | 55.6 | 0 | — | designed | |
| AFN-000535 | A | R1 Cl · R2 CF3 · Ar 1-Me-indol-3-yl | C20H14ClF3N4 | 402.8 | 6.05 | 42.7 | 1 | 6.98 | tested | |
| AFN-000536 | A | R1 Cl · R2 CF3 · Ar Naphthalen-2-yl | C21H13ClF3N3 | 399.8 | 6.71 | 37.8 | 0 | — | designed | |
| AFN-000537 | A | R1 Cl · R2 CF3 · Ar Pyrimidin-5-yl | C15H9ClF3N5 | 351.7 | 4.35 | 63.6 | 0 | — | designed | |
| AFN-000538 | A | R1 Cl · R2 CF3 · Ar Quinolin-3-yl | C20H12ClF3N4 | 400.8 | 6.11 | 50.7 | 0 | — | designed | |
| AFN-000539 | A | R1 Cl · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C17H12ClF3N4O | 380.8 | 4.96 | 59.9 | 1 | 7.61 | tested | |
| AFN-000540 | A | R1 Cl · R2 CN · Ar Phenyl | C17H11ClN4 | 306.8 | 4.41 | 61.6 | 0 | — | designed | |
| AFN-000541 | A | R1 Cl · R2 CN · Ar Pyridin-3-yl | C16H10ClN5 | 307.7 | 3.81 | 74.5 | 0 | — | designed | |
| AFN-000542 | A | R1 Cl · R2 CN · Ar Pyridin-4-yl | C16H10ClN5 | 307.7 | 3.81 | 74.5 | 0 | — | designed | |
| AFN-000543 | A | R1 Cl · R2 CN · Ar Pyridin-2-yl | C16H10ClN5 | 307.7 | 3.81 | 74.5 | 0 | — | designed | |
| AFN-000544 | A | R1 Cl · R2 CN · Ar 3-F-phenyl | C17H10ClFN4 | 324.8 | 4.55 | 61.6 | 0 | — | designed | |
| AFN-000545 | A | R1 Cl · R2 CN · Ar 4-F-phenyl | C17H10ClFN4 | 324.8 | 4.55 | 61.6 | 1 | 7.08 | tested | |
| AFN-000546 | A | R1 Cl · R2 CN · Ar 3-Cl-phenyl | C17H10Cl2N4 | 341.2 | 5.07 | 61.6 | 0 | — | designed | |
| AFN-000547 | A | R1 Cl · R2 CN · Ar 3-MeO-phenyl | C18H13ClN4O | 336.8 | 4.42 | 70.8 | 1 | 7.54 | tested | |
| AFN-000548 | A | R1 Cl · R2 CN · Ar 2-MeO-phenyl | C18H13ClN4O | 336.8 | 4.42 | 70.8 | 0 | — | designed | |
| AFN-000549 | A | R1 Cl · R2 CN · Ar 3-CN-phenyl | C18H10ClN5 | 331.8 | 4.28 | 85.4 | 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