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-000600 | A | R1 Br · R2 Me · Ar Phenyl | C17H14BrN3 | 340.2 | 4.96 | 37.8 | 0 | — | designed | |
| AFN-000601 | A | R1 Br · R2 Me · Ar Pyridin-3-yl | C16H13BrN4 | 341.2 | 4.35 | 50.7 | 0 | — | designed | |
| AFN-000602 | A | R1 Br · R2 Me · Ar Pyridin-4-yl | C16H13BrN4 | 341.2 | 4.35 | 50.7 | 0 | — | designed | |
| AFN-000603 | A | R1 Br · R2 Me · Ar Pyridin-2-yl | C16H13BrN4 | 341.2 | 4.35 | 50.7 | 0 | — | designed | |
| AFN-000604 | A | R1 Br · R2 Me · Ar 3-F-phenyl | C17H13BrFN3 | 358.2 | 5.10 | 37.8 | 0 | — | designed | |
| AFN-000605 | A | R1 Br · R2 Me · Ar 4-F-phenyl | C17H13BrFN3 | 358.2 | 5.10 | 37.8 | 0 | — | designed | |
| AFN-000606 | A | R1 Br · R2 Me · Ar 3-Cl-phenyl | C17H13BrClN3 | 374.7 | 5.61 | 37.8 | 0 | — | designed | |
| AFN-000607 | A | R1 Br · R2 Me · Ar 3-MeO-phenyl | C18H16BrN3O | 370.3 | 4.97 | 47.0 | 0 | — | designed | |
| AFN-000608 | A | R1 Br · R2 Me · Ar 2-MeO-phenyl | C18H16BrN3O | 370.3 | 4.97 | 47.0 | 0 | — | designed | |
| AFN-000609 | A | R1 Br · R2 Me · Ar 3-CN-phenyl | C18H13BrN4 | 365.2 | 4.83 | 61.6 | 0 | — | designed | |
| AFN-000610 | A | R1 Br · R2 Me · Ar 3,5-diF-phenyl | C17H12BrF2N3 | 376.2 | 5.24 | 37.8 | 0 | — | designed | |
| AFN-000611 | A | R1 Br · R2 Me · Ar Thiophen-2-yl | C15H12BrN3S | 346.3 | 5.02 | 37.8 | 0 | — | designed | |
| AFN-000612 | A | R1 Br · R2 Me · Ar Thiophen-3-yl | C15H12BrN3S | 346.3 | 5.02 | 37.8 | 0 | — | designed | |
| AFN-000613 | A | R1 Br · R2 Me · Ar Furan-3-yl | C15H12BrN3O | 330.2 | 4.55 | 51.0 | 0 | — | designed | |
| AFN-000614 | A | R1 Br · R2 Me · Ar 1-Me-pyrazol-4-yl | C15H14BrN5 | 344.2 | 3.69 | 55.6 | 0 | — | designed | |
| AFN-000615 | A | R1 Br · R2 Me · Ar 1-Me-indol-3-yl | C20H17BrN4 | 393.3 | 5.45 | 42.7 | 0 | — | designed | |
| AFN-000616 | A | R1 Br · R2 Me · Ar Naphthalen-2-yl | C21H16BrN3 | 390.3 | 6.11 | 37.8 | 0 | — | designed | |
| AFN-000617 | A | R1 Br · R2 Me · Ar Pyrimidin-5-yl | C15H12BrN5 | 342.2 | 3.75 | 63.6 | 0 | — | designed | |
| AFN-000618 | A | R1 Br · R2 Me · Ar Quinolin-3-yl | C20H15BrN4 | 391.3 | 5.51 | 50.7 | 0 | — | designed | |
| AFN-000619 | A | R1 Br · R2 Me · Ar 6-MeO-pyridin-3-yl | C17H15BrN4O | 371.2 | 4.36 | 59.9 | 0 | — | designed | |
| AFN-000620 | A | R1 Br · R2 F · Ar Phenyl | C16H11BrFN3 | 344.2 | 4.79 | 37.8 | 0 | — | designed | |
| AFN-000621 | A | R1 Br · R2 F · Ar Pyridin-3-yl | C15H10BrFN4 | 345.2 | 4.18 | 50.7 | 0 | — | designed | |
| AFN-000622 | A | R1 Br · R2 F · Ar Pyridin-4-yl | C15H10BrFN4 | 345.2 | 4.18 | 50.7 | 0 | — | designed | |
| AFN-000623 | A | R1 Br · R2 F · Ar Pyridin-2-yl | C15H10BrFN4 | 345.2 | 4.18 | 50.7 | 0 | — | designed | |
| AFN-000624 | A | R1 Br · R2 F · Ar 3-F-phenyl | C16H10BrF2N3 | 362.2 | 4.93 | 37.8 | 0 | — | designed | |
| AFN-000625 | A | R1 Br · R2 F · Ar 4-F-phenyl | C16H10BrF2N3 | 362.2 | 4.93 | 37.8 | 0 | — | designed | |
| AFN-000626 | A | R1 Br · R2 F · Ar 3-Cl-phenyl | C16H10BrClFN3 | 378.6 | 5.44 | 37.8 | 1 | 7.56 | tested | |
| AFN-000627 | A | R1 Br · R2 F · Ar 3-MeO-phenyl | C17H13BrFN3O | 374.2 | 4.80 | 47.0 | 0 | — | designed | |
| AFN-000628 | A | R1 Br · R2 F · Ar 2-MeO-phenyl | C17H13BrFN3O | 374.2 | 4.80 | 47.0 | 0 | — | designed | |
| AFN-000629 | A | R1 Br · R2 F · Ar 3-CN-phenyl | C17H10BrFN4 | 369.2 | 4.66 | 61.6 | 0 | — | designed | |
| AFN-000630 | A | R1 Br · R2 F · Ar 3,5-diF-phenyl | C16H9BrF3N3 | 380.2 | 5.07 | 37.8 | 1 | 7.71 | tested | |
| AFN-000631 | A | R1 Br · R2 F · Ar Thiophen-2-yl | C14H9BrFN3S | 350.2 | 4.85 | 37.8 | 0 | — | designed | |
| AFN-000632 | A | R1 Br · R2 F · Ar Thiophen-3-yl | C14H9BrFN3S | 350.2 | 4.85 | 37.8 | 0 | — | designed | |
| AFN-000633 | A | R1 Br · R2 F · Ar Furan-3-yl | C14H9BrFN3O | 334.1 | 4.38 | 51.0 | 0 | — | designed | |
| AFN-000634 | A | R1 Br · R2 F · Ar 1-Me-pyrazol-4-yl | C14H11BrFN5 | 348.2 | 3.52 | 55.6 | 0 | — | designed | |
| AFN-000635 | A | R1 Br · R2 F · Ar 1-Me-indol-3-yl | C19H14BrFN4 | 397.3 | 5.28 | 42.7 | 0 | — | designed | |
| AFN-000636 | A | R1 Br · R2 F · Ar Naphthalen-2-yl | C20H13BrFN3 | 394.3 | 5.94 | 37.8 | 0 | — | designed | |
| AFN-000637 | A | R1 Br · R2 F · Ar Pyrimidin-5-yl | C14H9BrFN5 | 346.2 | 3.58 | 63.6 | 0 | — | designed | |
| AFN-000638 | A | R1 Br · R2 F · Ar Quinolin-3-yl | C19H12BrFN4 | 395.2 | 5.34 | 50.7 | 0 | — | designed | |
| AFN-000639 | A | R1 Br · R2 F · Ar 6-MeO-pyridin-3-yl | C16H12BrFN4O | 375.2 | 4.19 | 59.9 | 0 | — | designed | |
| AFN-000640 | A | R1 Br · R2 Cl · Ar Phenyl | C16H11BrClN3 | 360.6 | 5.30 | 37.8 | 0 | — | designed | |
| AFN-000641 | A | R1 Br · R2 Cl · Ar Pyridin-3-yl | C15H10BrClN4 | 361.6 | 4.70 | 50.7 | 0 | — | designed | |
| AFN-000642 | A | R1 Br · R2 Cl · Ar Pyridin-4-yl | C15H10BrClN4 | 361.6 | 4.70 | 50.7 | 0 | — | designed | |
| AFN-000643 | A | R1 Br · R2 Cl · Ar Pyridin-2-yl | C15H10BrClN4 | 361.6 | 4.70 | 50.7 | 0 | — | designed | |
| AFN-000644 | A | R1 Br · R2 Cl · Ar 3-F-phenyl | C16H10BrClFN3 | 378.6 | 5.44 | 37.8 | 1 | 7.41 | tested | |
| AFN-000645 | A | R1 Br · R2 Cl · Ar 4-F-phenyl | C16H10BrClFN3 | 378.6 | 5.44 | 37.8 | 0 | — | designed | |
| AFN-000646 | A | R1 Br · R2 Cl · Ar 3-Cl-phenyl | C16H10BrCl2N3 | 395.1 | 5.96 | 37.8 | 0 | — | designed | |
| AFN-000647 | A | R1 Br · R2 Cl · Ar 3-MeO-phenyl | C17H13BrClN3O | 390.7 | 5.31 | 47.0 | 0 | — | designed | |
| AFN-000648 | A | R1 Br · R2 Cl · Ar 2-MeO-phenyl | C17H13BrClN3O | 390.7 | 5.31 | 47.0 | 1 | 6.90 | tested | |
| AFN-000649 | A | R1 Br · R2 Cl · Ar 3-CN-phenyl | C17H10BrClN4 | 385.6 | 5.17 | 61.6 | 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