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-002700 | A | R1 CONH2 · R2 F · Ar Phenyl | C17H13FN4O | 308.3 | 3.13 | 80.9 | 0 | — | designed | |
| AFN-002701 | A | R1 CONH2 · R2 F · Ar Pyridin-3-yl | C16H12FN5O | 309.3 | 2.52 | 93.8 | 1 | 7.73 | tested | |
| AFN-002702 | A | R1 CONH2 · R2 F · Ar Pyridin-4-yl | C16H12FN5O | 309.3 | 2.52 | 93.8 | 1 | 7.26 | tested | |
| AFN-002703 | A | R1 CONH2 · R2 F · Ar Pyridin-2-yl | C16H12FN5O | 309.3 | 2.52 | 93.8 | 0 | — | designed | |
| AFN-002704 | A | R1 CONH2 · R2 F · Ar 3-F-phenyl | C17H12F2N4O | 326.3 | 3.26 | 80.9 | 0 | — | designed | |
| AFN-002705 | A | R1 CONH2 · R2 F · Ar 4-F-phenyl | C17H12F2N4O | 326.3 | 3.26 | 80.9 | 0 | — | designed | |
| AFN-002706 | A | R1 CONH2 · R2 F · Ar 3-Cl-phenyl | C17H12ClFN4O | 342.8 | 3.78 | 80.9 | 0 | — | designed | |
| AFN-002707 | A | R1 CONH2 · R2 F · Ar 3-MeO-phenyl | C18H15FN4O2 | 338.3 | 3.13 | 90.1 | 0 | — | designed | |
| AFN-002708 | A | R1 CONH2 · R2 F · Ar 2-MeO-phenyl | C18H15FN4O2 | 338.3 | 3.13 | 90.1 | 0 | — | designed | |
| AFN-002709 | A | R1 CONH2 · R2 F · Ar 3-CN-phenyl | C18H12FN5O | 333.3 | 3.00 | 104.7 | 0 | — | designed | |
| AFN-002710 | A | R1 CONH2 · R2 F · Ar 3,5-diF-phenyl | C17H11F3N4O | 344.3 | 3.40 | 80.9 | 0 | — | designed | |
| AFN-002711 | A | R1 CONH2 · R2 F · Ar Thiophen-2-yl | C15H11FN4OS | 314.3 | 3.19 | 80.9 | 0 | — | designed | |
| AFN-002712 | A | R1 CONH2 · R2 F · Ar Thiophen-3-yl | C15H11FN4OS | 314.3 | 3.19 | 80.9 | 0 | — | designed | |
| AFN-002713 | A | R1 CONH2 · R2 F · Ar Furan-3-yl | C15H11FN4O2 | 298.3 | 2.72 | 94.0 | 0 | — | designed | |
| AFN-002714 | A | R1 CONH2 · R2 F · Ar 1-Me-pyrazol-4-yl | C15H13FN6O | 312.3 | 1.86 | 98.7 | 1 | 7.32 | tested | |
| AFN-002715 | A | R1 CONH2 · R2 F · Ar 1-Me-indol-3-yl | C20H16FN5O | 361.4 | 3.62 | 85.8 | 0 | — | designed | |
| AFN-002716 | A | R1 CONH2 · R2 F · Ar Naphthalen-2-yl | C21H15FN4O | 358.4 | 4.28 | 80.9 | 0 | — | designed | |
| AFN-002717 | A | R1 CONH2 · R2 F · Ar Pyrimidin-5-yl | C15H11FN6O | 310.3 | 1.92 | 106.7 | 0 | — | designed | |
| AFN-002718 | A | R1 CONH2 · R2 F · Ar Quinolin-3-yl | C20H14FN5O | 359.4 | 3.67 | 93.8 | 0 | — | designed | |
| AFN-002719 | A | R1 CONH2 · R2 F · Ar 6-MeO-pyridin-3-yl | C17H14FN5O2 | 339.3 | 2.53 | 103.0 | 0 | — | designed | |
| AFN-002720 | A | R1 CONH2 · R2 Cl · Ar Phenyl | C17H13ClN4O | 324.8 | 3.64 | 80.9 | 1 | 7.05 | tested | |
| AFN-002721 | A | R1 CONH2 · R2 Cl · Ar Pyridin-3-yl | C16H12ClN5O | 325.8 | 3.03 | 93.8 | 0 | — | designed | |
| AFN-002722 | A | R1 CONH2 · R2 Cl · Ar Pyridin-4-yl | C16H12ClN5O | 325.8 | 3.03 | 93.8 | 0 | — | designed | |
| AFN-002723 | A | R1 CONH2 · R2 Cl · Ar Pyridin-2-yl | C16H12ClN5O | 325.8 | 3.03 | 93.8 | 0 | — | designed | |
| AFN-002724 | A | R1 CONH2 · R2 Cl · Ar 3-F-phenyl | C17H12ClFN4O | 342.8 | 3.78 | 80.9 | 0 | — | designed | |
| AFN-002725 | A | R1 CONH2 · R2 Cl · Ar 4-F-phenyl | C17H12ClFN4O | 342.8 | 3.78 | 80.9 | 0 | — | designed | |
| AFN-002726 | A | R1 CONH2 · R2 Cl · Ar 3-Cl-phenyl | C17H12Cl2N4O | 359.2 | 4.29 | 80.9 | 1 | 7.08 | tested | |
| AFN-002727 | A | R1 CONH2 · R2 Cl · Ar 3-MeO-phenyl | C18H15ClN4O2 | 354.8 | 3.65 | 90.1 | 0 | — | designed | |
| AFN-002728 | A | R1 CONH2 · R2 Cl · Ar 2-MeO-phenyl | C18H15ClN4O2 | 354.8 | 3.65 | 90.1 | 0 | — | designed | |
| AFN-002729 | A | R1 CONH2 · R2 Cl · Ar 3-CN-phenyl | C18H12ClN5O | 349.8 | 3.51 | 104.7 | 0 | — | designed | |
| AFN-002730 | A | R1 CONH2 · R2 Cl · Ar 3,5-diF-phenyl | C17H11ClF2N4O | 360.8 | 3.92 | 80.9 | 0 | — | designed | |
| AFN-002731 | A | R1 CONH2 · R2 Cl · Ar Thiophen-2-yl | C15H11ClN4OS | 330.8 | 3.70 | 80.9 | 0 | — | designed | |
| AFN-002732 | A | R1 CONH2 · R2 Cl · Ar Thiophen-3-yl | C15H11ClN4OS | 330.8 | 3.70 | 80.9 | 0 | — | designed | |
| AFN-002733 | A | R1 CONH2 · R2 Cl · Ar Furan-3-yl | C15H11ClN4O2 | 314.7 | 3.23 | 94.0 | 1 | 6.80 | tested | |
| AFN-002734 | A | R1 CONH2 · R2 Cl · Ar 1-Me-pyrazol-4-yl | C15H13ClN6O | 328.8 | 2.37 | 98.7 | 0 | — | designed | |
| AFN-002735 | A | R1 CONH2 · R2 Cl · Ar 1-Me-indol-3-yl | C20H16ClN5O | 377.8 | 4.13 | 85.8 | 0 | — | designed | |
| AFN-002736 | A | R1 CONH2 · R2 Cl · Ar Naphthalen-2-yl | C21H15ClN4O | 374.8 | 4.79 | 80.9 | 0 | — | designed | |
| AFN-002737 | A | R1 CONH2 · R2 Cl · Ar Pyrimidin-5-yl | C15H11ClN6O | 326.8 | 2.43 | 106.7 | 0 | — | designed | |
| AFN-002738 | A | R1 CONH2 · R2 Cl · Ar Quinolin-3-yl | C20H14ClN5O | 375.8 | 4.19 | 93.8 | 0 | — | designed | |
| AFN-002739 | A | R1 CONH2 · R2 Cl · Ar 6-MeO-pyridin-3-yl | C17H14ClN5O2 | 355.8 | 3.04 | 103.0 | 0 | — | designed | |
| AFN-002740 | A | R1 CONH2 · R2 Br · Ar Phenyl | C17H13BrN4O | 369.2 | 3.75 | 80.9 | 0 | — | designed | |
| AFN-002741 | A | R1 CONH2 · R2 Br · Ar Pyridin-3-yl | C16H12BrN5O | 370.2 | 3.14 | 93.8 | 0 | — | designed | |
| AFN-002742 | A | R1 CONH2 · R2 Br · Ar Pyridin-4-yl | C16H12BrN5O | 370.2 | 3.14 | 93.8 | 0 | — | designed | |
| AFN-002743 | A | R1 CONH2 · R2 Br · Ar Pyridin-2-yl | C16H12BrN5O | 370.2 | 3.14 | 93.8 | 1 | 7.07 | tested | |
| AFN-002744 | A | R1 CONH2 · R2 Br · Ar 3-F-phenyl | C17H12BrFN4O | 387.2 | 3.89 | 80.9 | 0 | — | designed | |
| AFN-002745 | A | R1 CONH2 · R2 Br · Ar 4-F-phenyl | C17H12BrFN4O | 387.2 | 3.89 | 80.9 | 0 | — | designed | |
| AFN-002746 | A | R1 CONH2 · R2 Br · Ar 3-Cl-phenyl | C17H12BrClN4O | 403.7 | 4.40 | 80.9 | 0 | — | designed | |
| AFN-002747 | A | R1 CONH2 · R2 Br · Ar 3-MeO-phenyl | C18H15BrN4O2 | 399.3 | 3.76 | 90.1 | 0 | — | designed | |
| AFN-002748 | A | R1 CONH2 · R2 Br · Ar 2-MeO-phenyl | C18H15BrN4O2 | 399.3 | 3.76 | 90.1 | 1 | 6.67 | tested | |
| AFN-002749 | A | R1 CONH2 · R2 Br · Ar 3-CN-phenyl | C18H12BrN5O | 394.2 | 3.62 | 104.7 | 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