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-002650 | A | R1 SO2Me · R2 OMe · Ar 3,5-diF-phenyl | C18H15F2N3O3S | 391.4 | 3.58 | 81.2 | 0 | — | designed | |
| AFN-002651 | A | R1 SO2Me · R2 OMe · Ar Thiophen-2-yl | C16H15N3O3S2 | 361.4 | 3.36 | 81.2 | 0 | — | designed | |
| AFN-002652 | A | R1 SO2Me · R2 OMe · Ar Thiophen-3-yl | C16H15N3O3S2 | 361.4 | 3.36 | 81.2 | 0 | — | designed | |
| AFN-002653 | A | R1 SO2Me · R2 OMe · Ar Furan-3-yl | C16H15N3O4S | 345.4 | 2.89 | 94.3 | 0 | — | designed | |
| AFN-002654 | A | R1 SO2Me · R2 OMe · Ar 1-Me-pyrazol-4-yl | C16H17N5O3S | 359.4 | 2.03 | 99.0 | 0 | — | designed | |
| AFN-002655 | A | R1 SO2Me · R2 OMe · Ar 1-Me-indol-3-yl | C21H20N4O3S | 408.5 | 3.79 | 86.1 | 0 | — | designed | |
| AFN-002656 | A | R1 SO2Me · R2 OMe · Ar Naphthalen-2-yl | C22H19N3O3S | 405.5 | 4.45 | 81.2 | 0 | — | designed | |
| AFN-002657 | A | R1 SO2Me · R2 OMe · Ar Pyrimidin-5-yl | C16H15N5O3S | 357.4 | 2.09 | 107.0 | 0 | — | designed | |
| AFN-002658 | A | R1 SO2Me · R2 OMe · Ar Quinolin-3-yl | C21H18N4O3S | 406.5 | 3.85 | 94.1 | 0 | — | designed | |
| AFN-002659 | A | R1 SO2Me · R2 OMe · Ar 6-MeO-pyridin-3-yl | C18H18N4O4S | 386.4 | 2.70 | 103.3 | 0 | — | designed | |
| AFN-002660 | A | R1 CONH2 · R2 H · Ar Phenyl | C17H14N4O | 290.3 | 2.99 | 80.9 | 0 | — | designed | |
| AFN-002661 | A | R1 CONH2 · R2 H · Ar Pyridin-3-yl | C16H13N5O | 291.3 | 2.38 | 93.8 | 1 | 7.31 | tested | |
| AFN-002662 | A | R1 CONH2 · R2 H · Ar Pyridin-4-yl | C16H13N5O | 291.3 | 2.38 | 93.8 | 0 | — | designed | |
| AFN-002663 | A | R1 CONH2 · R2 H · Ar Pyridin-2-yl | C16H13N5O | 291.3 | 2.38 | 93.8 | 0 | — | designed | |
| AFN-002664 | A | R1 CONH2 · R2 H · Ar 3-F-phenyl | C17H13FN4O | 308.3 | 3.13 | 80.9 | 0 | — | designed | |
| AFN-002665 | A | R1 CONH2 · R2 H · Ar 4-F-phenyl | C17H13FN4O | 308.3 | 3.13 | 80.9 | 1 | 6.91 | tested | |
| AFN-002666 | A | R1 CONH2 · R2 H · Ar 3-Cl-phenyl | C17H13ClN4O | 324.8 | 3.64 | 80.9 | 0 | — | designed | |
| AFN-002667 | A | R1 CONH2 · R2 H · Ar 3-MeO-phenyl | C18H16N4O2 | 320.4 | 2.99 | 90.1 | 0 | — | designed | |
| AFN-002668 | A | R1 CONH2 · R2 H · Ar 2-MeO-phenyl | C18H16N4O2 | 320.4 | 2.99 | 90.1 | 1 | 6.68 | tested | |
| AFN-002669 | A | R1 CONH2 · R2 H · Ar 3-CN-phenyl | C18H13N5O | 315.3 | 2.86 | 104.7 | 0 | — | designed | |
| AFN-002670 | A | R1 CONH2 · R2 H · Ar 3,5-diF-phenyl | C17H12F2N4O | 326.3 | 3.26 | 80.9 | 0 | — | designed | |
| AFN-002671 | A | R1 CONH2 · R2 H · Ar Thiophen-2-yl | C15H12N4OS | 296.4 | 3.05 | 80.9 | 0 | — | designed | |
| AFN-002672 | A | R1 CONH2 · R2 H · Ar Thiophen-3-yl | C15H12N4OS | 296.4 | 3.05 | 80.9 | 0 | — | designed | |
| AFN-002673 | A | R1 CONH2 · R2 H · Ar Furan-3-yl | C15H12N4O2 | 280.3 | 2.58 | 94.0 | 0 | — | designed | |
| AFN-002674 | A | R1 CONH2 · R2 H · Ar 1-Me-pyrazol-4-yl | C15H14N6O | 294.3 | 1.72 | 98.7 | 0 | — | designed | |
| AFN-002675 | A | R1 CONH2 · R2 H · Ar 1-Me-indol-3-yl | C20H17N5O | 343.4 | 3.48 | 85.8 | 1 | 7.08 | tested | |
| AFN-002676 | A | R1 CONH2 · R2 H · Ar Naphthalen-2-yl | C21H16N4O | 340.4 | 4.14 | 80.9 | 0 | — | designed | |
| AFN-002677 | A | R1 CONH2 · R2 H · Ar Pyrimidin-5-yl | C15H12N6O | 292.3 | 1.78 | 106.7 | 0 | — | designed | |
| AFN-002678 | A | R1 CONH2 · R2 H · Ar Quinolin-3-yl | C20H15N5O | 341.4 | 3.53 | 93.8 | 0 | — | designed | |
| AFN-002679 | A | R1 CONH2 · R2 H · Ar 6-MeO-pyridin-3-yl | C17H15N5O2 | 321.3 | 2.39 | 103.0 | 0 | — | designed | |
| AFN-002680 | A | R1 CONH2 · R2 Me · Ar Phenyl | C18H16N4O | 304.4 | 3.29 | 80.9 | 0 | — | designed | |
| AFN-002681 | A | R1 CONH2 · R2 Me · Ar Pyridin-3-yl | C17H15N5O | 305.3 | 2.69 | 93.8 | 0 | — | designed | |
| AFN-002682 | A | R1 CONH2 · R2 Me · Ar Pyridin-4-yl | C17H15N5O | 305.3 | 2.69 | 93.8 | 0 | — | designed | |
| AFN-002683 | A | R1 CONH2 · R2 Me · Ar Pyridin-2-yl | C17H15N5O | 305.3 | 2.69 | 93.8 | 0 | — | designed | |
| AFN-002684 | A | R1 CONH2 · R2 Me · Ar 3-F-phenyl | C18H15FN4O | 322.3 | 3.43 | 80.9 | 0 | — | designed | |
| AFN-002685 | A | R1 CONH2 · R2 Me · Ar 4-F-phenyl | C18H15FN4O | 322.3 | 3.43 | 80.9 | 0 | — | designed | |
| AFN-002686 | A | R1 CONH2 · R2 Me · Ar 3-Cl-phenyl | C18H15ClN4O | 338.8 | 3.95 | 80.9 | 0 | — | designed | |
| AFN-002687 | A | R1 CONH2 · R2 Me · Ar 3-MeO-phenyl | C19H18N4O2 | 334.4 | 3.30 | 90.1 | 0 | — | designed | |
| AFN-002688 | A | R1 CONH2 · R2 Me · Ar 2-MeO-phenyl | C19H18N4O2 | 334.4 | 3.30 | 90.1 | 0 | — | designed | |
| AFN-002689 | A | R1 CONH2 · R2 Me · Ar 3-CN-phenyl | C19H15N5O | 329.4 | 3.17 | 104.7 | 0 | — | designed | |
| AFN-002690 | A | R1 CONH2 · R2 Me · Ar 3,5-diF-phenyl | C18H14F2N4O | 340.3 | 3.57 | 80.9 | 0 | — | designed | |
| AFN-002691 | A | R1 CONH2 · R2 Me · Ar Thiophen-2-yl | C16H14N4OS | 310.4 | 3.36 | 80.9 | 0 | — | designed | |
| AFN-002692 | A | R1 CONH2 · R2 Me · Ar Thiophen-3-yl | C16H14N4OS | 310.4 | 3.36 | 80.9 | 0 | — | designed | |
| AFN-002693 | A | R1 CONH2 · R2 Me · Ar Furan-3-yl | C16H14N4O2 | 294.3 | 2.89 | 94.0 | 0 | — | designed | |
| AFN-002694 | A | R1 CONH2 · R2 Me · Ar 1-Me-pyrazol-4-yl | C16H16N6O | 308.4 | 2.03 | 98.7 | 0 | — | designed | |
| AFN-002695 | A | R1 CONH2 · R2 Me · Ar 1-Me-indol-3-yl | C21H19N5O | 357.4 | 3.79 | 85.8 | 0 | — | designed | |
| AFN-002696 | A | R1 CONH2 · R2 Me · Ar Naphthalen-2-yl | C22H18N4O | 354.4 | 4.45 | 80.9 | 0 | — | designed | |
| AFN-002697 | A | R1 CONH2 · R2 Me · Ar Pyrimidin-5-yl | C16H14N6O | 306.3 | 2.08 | 106.7 | 0 | — | designed | |
| AFN-002698 | A | R1 CONH2 · R2 Me · Ar Quinolin-3-yl | C21H17N5O | 355.4 | 3.84 | 93.8 | 0 | — | designed | |
| AFN-002699 | A | R1 CONH2 · R2 Me · Ar 6-MeO-pyridin-3-yl | C18H17N5O2 | 335.4 | 2.70 | 103.0 | 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