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-000650 | A | R1 Br · R2 Cl · Ar 3,5-diF-phenyl | C16H9BrClF2N3 | 396.6 | 5.58 | 37.8 | 0 | — | designed | |
| AFN-000651 | A | R1 Br · R2 Cl · Ar Thiophen-2-yl | C14H9BrClN3S | 366.7 | 5.36 | 37.8 | 0 | — | designed | |
| AFN-000652 | A | R1 Br · R2 Cl · Ar Thiophen-3-yl | C14H9BrClN3S | 366.7 | 5.36 | 37.8 | 0 | — | designed | |
| AFN-000653 | A | R1 Br · R2 Cl · Ar Furan-3-yl | C14H9BrClN3O | 350.6 | 4.90 | 51.0 | 0 | — | designed | |
| AFN-000654 | A | R1 Br · R2 Cl · Ar 1-Me-pyrazol-4-yl | C14H11BrClN5 | 364.6 | 4.04 | 55.6 | 0 | — | designed | |
| AFN-000655 | A | R1 Br · R2 Cl · Ar 1-Me-indol-3-yl | C19H14BrClN4 | 413.7 | 5.79 | 42.7 | 0 | — | designed | |
| AFN-000656 | A | R1 Br · R2 Cl · Ar Naphthalen-2-yl | C20H13BrClN3 | 410.7 | 6.46 | 37.8 | 0 | — | designed | |
| AFN-000657 | A | R1 Br · R2 Cl · Ar Pyrimidin-5-yl | C14H9BrClN5 | 362.6 | 4.09 | 63.6 | 0 | — | designed | |
| AFN-000658 | A | R1 Br · R2 Cl · Ar Quinolin-3-yl | C19H12BrClN4 | 411.7 | 5.85 | 50.7 | 0 | — | designed | |
| AFN-000659 | A | R1 Br · R2 Cl · Ar 6-MeO-pyridin-3-yl | C16H12BrClN4O | 391.7 | 4.71 | 59.9 | 0 | — | designed | |
| AFN-000660 | A | R1 Br · R2 Br · Ar Phenyl | C16H11Br2N3 | 405.1 | 5.41 | 37.8 | 0 | — | designed | |
| AFN-000661 | A | R1 Br · R2 Br · Ar Pyridin-3-yl | C15H10Br2N4 | 406.1 | 4.81 | 50.7 | 0 | — | designed | |
| AFN-000662 | A | R1 Br · R2 Br · Ar Pyridin-4-yl | C15H10Br2N4 | 406.1 | 4.81 | 50.7 | 0 | — | designed | |
| AFN-000663 | A | R1 Br · R2 Br · Ar Pyridin-2-yl | C15H10Br2N4 | 406.1 | 4.81 | 50.7 | 0 | — | designed | |
| AFN-000664 | A | R1 Br · R2 Br · Ar 3-F-phenyl | C16H10Br2FN3 | 423.1 | 5.55 | 37.8 | 1 | 7.07 | tested | |
| AFN-000665 | A | R1 Br · R2 Br · Ar 4-F-phenyl | C16H10Br2FN3 | 423.1 | 5.55 | 37.8 | 0 | — | designed | |
| AFN-000666 | A | R1 Br · R2 Br · Ar 3-Cl-phenyl | C16H10Br2ClN3 | 439.5 | 6.07 | 37.8 | 0 | — | designed | |
| AFN-000667 | A | R1 Br · R2 Br · Ar 3-MeO-phenyl | C17H13Br2N3O | 435.1 | 5.42 | 47.0 | 0 | — | designed | |
| AFN-000668 | A | R1 Br · R2 Br · Ar 2-MeO-phenyl | C17H13Br2N3O | 435.1 | 5.42 | 47.0 | 0 | — | designed | |
| AFN-000669 | A | R1 Br · R2 Br · Ar 3-CN-phenyl | C17H10Br2N4 | 430.1 | 5.28 | 61.6 | 0 | — | designed | |
| AFN-000670 | A | R1 Br · R2 Br · Ar 3,5-diF-phenyl | C16H9Br2F2N3 | 441.1 | 5.69 | 37.8 | 1 | 7.49 | tested | |
| AFN-000671 | A | R1 Br · R2 Br · Ar Thiophen-2-yl | C14H9Br2N3S | 411.1 | 5.47 | 37.8 | 0 | — | designed | |
| AFN-000672 | A | R1 Br · R2 Br · Ar Thiophen-3-yl | C14H9Br2N3S | 411.1 | 5.47 | 37.8 | 0 | — | designed | |
| AFN-000673 | A | R1 Br · R2 Br · Ar Furan-3-yl | C14H9Br2N3O | 395.1 | 5.01 | 51.0 | 0 | — | designed | |
| AFN-000674 | A | R1 Br · R2 Br · Ar 1-Me-pyrazol-4-yl | C14H11Br2N5 | 409.1 | 4.15 | 55.6 | 0 | — | designed | |
| AFN-000675 | A | R1 Br · R2 Br · Ar 1-Me-indol-3-yl | C19H14Br2N4 | 458.2 | 5.90 | 42.7 | 1 | 7.34 | tested | |
| AFN-000676 | A | R1 Br · R2 Br · Ar Naphthalen-2-yl | C20H13Br2N3 | 455.1 | 6.57 | 37.8 | 0 | — | designed | |
| AFN-000677 | A | R1 Br · R2 Br · Ar Pyrimidin-5-yl | C14H9Br2N5 | 407.1 | 4.20 | 63.6 | 0 | — | designed | |
| AFN-000678 | A | R1 Br · R2 Br · Ar Quinolin-3-yl | C19H12Br2N4 | 456.1 | 5.96 | 50.7 | 0 | — | designed | |
| AFN-000679 | A | R1 Br · R2 Br · Ar 6-MeO-pyridin-3-yl | C16H12Br2N4O | 436.1 | 4.82 | 59.9 | 0 | — | designed | |
| AFN-000680 | A | R1 Br · R2 CF3 · Ar Phenyl | C17H11BrF3N3 | 394.2 | 5.67 | 37.8 | 0 | — | designed | |
| AFN-000681 | A | R1 Br · R2 CF3 · Ar Pyridin-3-yl | C16H10BrF3N4 | 395.2 | 5.06 | 50.7 | 0 | — | designed | |
| AFN-000682 | A | R1 Br · R2 CF3 · Ar Pyridin-4-yl | C16H10BrF3N4 | 395.2 | 5.06 | 50.7 | 0 | — | designed | |
| AFN-000683 | A | R1 Br · R2 CF3 · Ar Pyridin-2-yl | C16H10BrF3N4 | 395.2 | 5.06 | 50.7 | 0 | — | designed | |
| AFN-000684 | A | R1 Br · R2 CF3 · Ar 3-F-phenyl | C17H10BrF4N3 | 412.2 | 5.81 | 37.8 | 0 | — | designed | |
| AFN-000685 | A | R1 Br · R2 CF3 · Ar 4-F-phenyl | C17H10BrF4N3 | 412.2 | 5.81 | 37.8 | 0 | — | designed | |
| AFN-000686 | A | R1 Br · R2 CF3 · Ar 3-Cl-phenyl | C17H10BrClF3N3 | 428.6 | 6.32 | 37.8 | 0 | — | designed | |
| AFN-000687 | A | R1 Br · R2 CF3 · Ar 3-MeO-phenyl | C18H13BrF3N3O | 424.2 | 5.68 | 47.0 | 0 | — | designed | |
| AFN-000688 | A | R1 Br · R2 CF3 · Ar 2-MeO-phenyl | C18H13BrF3N3O | 424.2 | 5.68 | 47.0 | 0 | — | designed | |
| AFN-000689 | A | R1 Br · R2 CF3 · Ar 3-CN-phenyl | C18H10BrF3N4 | 419.2 | 5.54 | 61.6 | 0 | — | designed | |
| AFN-000690 | A | R1 Br · R2 CF3 · Ar 3,5-diF-phenyl | C17H9BrF5N3 | 430.2 | 5.95 | 37.8 | 0 | — | designed | |
| AFN-000691 | A | R1 Br · R2 CF3 · Ar Thiophen-2-yl | C15H9BrF3N3S | 400.2 | 5.73 | 37.8 | 0 | — | designed | |
| AFN-000692 | A | R1 Br · R2 CF3 · Ar Thiophen-3-yl | C15H9BrF3N3S | 400.2 | 5.73 | 37.8 | 0 | — | designed | |
| AFN-000693 | A | R1 Br · R2 CF3 · Ar Furan-3-yl | C15H9BrF3N3O | 384.2 | 5.26 | 51.0 | 0 | — | designed | |
| AFN-000694 | A | R1 Br · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C15H11BrF3N5 | 398.2 | 4.40 | 55.6 | 0 | — | designed | |
| AFN-000695 | A | R1 Br · R2 CF3 · Ar 1-Me-indol-3-yl | C20H14BrF3N4 | 447.3 | 6.16 | 42.7 | 0 | — | designed | |
| AFN-000696 | A | R1 Br · R2 CF3 · Ar Naphthalen-2-yl | C21H13BrF3N3 | 444.3 | 6.82 | 37.8 | 0 | — | designed | |
| AFN-000697 | A | R1 Br · R2 CF3 · Ar Pyrimidin-5-yl | C15H9BrF3N5 | 396.2 | 4.46 | 63.6 | 0 | — | designed | |
| AFN-000698 | A | R1 Br · R2 CF3 · Ar Quinolin-3-yl | C20H12BrF3N4 | 445.2 | 6.22 | 50.7 | 0 | — | designed | |
| AFN-000699 | A | R1 Br · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C17H12BrF3N4O | 425.2 | 5.07 | 59.9 | 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