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-000700 | A | R1 Br · R2 CN · Ar Phenyl | C17H11BrN4 | 351.2 | 4.52 | 61.6 | 1 | 7.20 | tested | |
| AFN-000701 | A | R1 Br · R2 CN · Ar Pyridin-3-yl | C16H10BrN5 | 352.2 | 3.92 | 74.5 | 0 | — | designed | |
| AFN-000702 | A | R1 Br · R2 CN · Ar Pyridin-4-yl | C16H10BrN5 | 352.2 | 3.92 | 74.5 | 0 | — | designed | |
| AFN-000703 | A | R1 Br · R2 CN · Ar Pyridin-2-yl | C16H10BrN5 | 352.2 | 3.92 | 74.5 | 0 | — | designed | |
| AFN-000704 | A | R1 Br · R2 CN · Ar 3-F-phenyl | C17H10BrFN4 | 369.2 | 4.66 | 61.6 | 0 | — | designed | |
| AFN-000705 | A | R1 Br · R2 CN · Ar 4-F-phenyl | C17H10BrFN4 | 369.2 | 4.66 | 61.6 | 1 | 7.10 | tested | |
| AFN-000706 | A | R1 Br · R2 CN · Ar 3-Cl-phenyl | C17H10BrClN4 | 385.6 | 5.17 | 61.6 | 0 | — | designed | |
| AFN-000707 | A | R1 Br · R2 CN · Ar 3-MeO-phenyl | C18H13BrN4O | 381.2 | 4.53 | 70.8 | 0 | — | designed | |
| AFN-000708 | A | R1 Br · R2 CN · Ar 2-MeO-phenyl | C18H13BrN4O | 381.2 | 4.53 | 70.8 | 0 | — | designed | |
| AFN-000709 | A | R1 Br · R2 CN · Ar 3-CN-phenyl | C18H10BrN5 | 376.2 | 4.39 | 85.4 | 0 | — | designed | |
| AFN-000710 | A | R1 Br · R2 CN · Ar 3,5-diF-phenyl | C17H9BrF2N4 | 387.2 | 4.80 | 61.6 | 0 | — | designed | |
| AFN-000711 | A | R1 Br · R2 CN · Ar Thiophen-2-yl | C15H9BrN4S | 357.2 | 4.58 | 61.6 | 0 | — | designed | |
| AFN-000712 | A | R1 Br · R2 CN · Ar Thiophen-3-yl | C15H9BrN4S | 357.2 | 4.58 | 61.6 | 0 | — | designed | |
| AFN-000713 | A | R1 Br · R2 CN · Ar Furan-3-yl | C15H9BrN4O | 341.2 | 4.11 | 74.7 | 0 | — | designed | |
| AFN-000714 | A | R1 Br · R2 CN · Ar 1-Me-pyrazol-4-yl | C15H11BrN6 | 355.2 | 3.25 | 79.4 | 0 | — | designed | |
| AFN-000715 | A | R1 Br · R2 CN · Ar 1-Me-indol-3-yl | C20H14BrN5 | 404.3 | 5.01 | 66.5 | 0 | — | designed | |
| AFN-000716 | A | R1 Br · R2 CN · Ar Naphthalen-2-yl | C21H13BrN4 | 401.3 | 5.67 | 61.6 | 0 | — | designed | |
| AFN-000717 | A | R1 Br · R2 CN · Ar Pyrimidin-5-yl | C15H9BrN6 | 353.2 | 3.31 | 87.4 | 1 | 7.43 | tested | |
| AFN-000718 | A | R1 Br · R2 CN · Ar Quinolin-3-yl | C20H12BrN5 | 402.3 | 5.07 | 74.5 | 1 | 7.55 | tested | |
| AFN-000719 | A | R1 Br · R2 CN · Ar 6-MeO-pyridin-3-yl | C17H12BrN5O | 382.2 | 3.92 | 83.7 | 0 | — | designed | |
| AFN-000720 | A | R1 Br · R2 OMe · Ar Phenyl | C17H14BrN3O | 356.2 | 4.66 | 47.0 | 1 | 7.13 | tested | |
| AFN-000721 | A | R1 Br · R2 OMe · Ar Pyridin-3-yl | C16H13BrN4O | 357.2 | 4.05 | 59.9 | 0 | — | designed | |
| AFN-000722 | A | R1 Br · R2 OMe · Ar Pyridin-4-yl | C16H13BrN4O | 357.2 | 4.05 | 59.9 | 0 | — | designed | |
| AFN-000723 | A | R1 Br · R2 OMe · Ar Pyridin-2-yl | C16H13BrN4O | 357.2 | 4.05 | 59.9 | 1 | 6.94 | tested | |
| AFN-000724 | A | R1 Br · R2 OMe · Ar 3-F-phenyl | C17H13BrFN3O | 374.2 | 4.80 | 47.0 | 0 | — | designed | |
| AFN-000725 | A | R1 Br · R2 OMe · Ar 4-F-phenyl | C17H13BrFN3O | 374.2 | 4.80 | 47.0 | 0 | — | designed | |
| AFN-000726 | A | R1 Br · R2 OMe · Ar 3-Cl-phenyl | C17H13BrClN3O | 390.7 | 5.31 | 47.0 | 0 | — | designed | |
| AFN-000727 | A | R1 Br · R2 OMe · Ar 3-MeO-phenyl | C18H16BrN3O2 | 386.3 | 4.67 | 56.3 | 0 | — | designed | |
| AFN-000728 | A | R1 Br · R2 OMe · Ar 2-MeO-phenyl | C18H16BrN3O2 | 386.3 | 4.67 | 56.3 | 0 | — | designed | |
| AFN-000729 | A | R1 Br · R2 OMe · Ar 3-CN-phenyl | C18H13BrN4O | 381.2 | 4.53 | 70.8 | 0 | — | designed | |
| AFN-000730 | A | R1 Br · R2 OMe · Ar 3,5-diF-phenyl | C17H12BrF2N3O | 392.2 | 4.94 | 47.0 | 0 | — | designed | |
| AFN-000731 | A | R1 Br · R2 OMe · Ar Thiophen-2-yl | C15H12BrN3OS | 362.3 | 4.72 | 47.0 | 0 | — | designed | |
| AFN-000732 | A | R1 Br · R2 OMe · Ar Thiophen-3-yl | C15H12BrN3OS | 362.3 | 4.72 | 47.0 | 0 | — | designed | |
| AFN-000733 | A | R1 Br · R2 OMe · Ar Furan-3-yl | C15H12BrN3O2 | 346.2 | 4.25 | 60.2 | 0 | — | designed | |
| AFN-000734 | A | R1 Br · R2 OMe · Ar 1-Me-pyrazol-4-yl | C15H14BrN5O | 360.2 | 3.39 | 64.9 | 0 | — | designed | |
| AFN-000735 | A | R1 Br · R2 OMe · Ar 1-Me-indol-3-yl | C20H17BrN4O | 409.3 | 5.15 | 52.0 | 0 | — | designed | |
| AFN-000736 | A | R1 Br · R2 OMe · Ar Naphthalen-2-yl | C21H16BrN3O | 406.3 | 5.81 | 47.0 | 0 | — | designed | |
| AFN-000737 | A | R1 Br · R2 OMe · Ar Pyrimidin-5-yl | C15H12BrN5O | 358.2 | 3.45 | 72.8 | 0 | — | designed | |
| AFN-000738 | A | R1 Br · R2 OMe · Ar Quinolin-3-yl | C20H15BrN4O | 407.3 | 5.21 | 59.9 | 0 | — | designed | |
| AFN-000739 | A | R1 Br · R2 OMe · Ar 6-MeO-pyridin-3-yl | C17H15BrN4O2 | 387.2 | 4.06 | 69.2 | 0 | — | designed | |
| AFN-000740 | A | R1 Me · R2 H · Ar Phenyl | C17H15N3 | 261.3 | 4.20 | 37.8 | 0 | — | designed | |
| AFN-000741 | A | R1 Me · R2 H · Ar Pyridin-3-yl | C16H14N4 | 262.3 | 3.59 | 50.7 | 0 | — | designed | |
| AFN-000742 | A | R1 Me · R2 H · Ar Pyridin-4-yl | C16H14N4 | 262.3 | 3.59 | 50.7 | 0 | — | designed | |
| AFN-000743 | A | R1 Me · R2 H · Ar Pyridin-2-yl | C16H14N4 | 262.3 | 3.59 | 50.7 | 1 | 6.95 | tested | |
| AFN-000744 | A | R1 Me · R2 H · Ar 3-F-phenyl | C17H14FN3 | 279.3 | 4.33 | 37.8 | 0 | — | designed | |
| AFN-000745 | A | R1 Me · R2 H · Ar 4-F-phenyl | C17H14FN3 | 279.3 | 4.33 | 37.8 | 0 | — | designed | |
| AFN-000746 | A | R1 Me · R2 H · Ar 3-Cl-phenyl | C17H14ClN3 | 295.8 | 4.85 | 37.8 | 0 | — | designed | |
| AFN-000747 | A | R1 Me · R2 H · Ar 3-MeO-phenyl | C18H17N3O | 291.4 | 4.20 | 47.0 | 0 | — | designed | |
| AFN-000748 | A | R1 Me · R2 H · Ar 2-MeO-phenyl | C18H17N3O | 291.4 | 4.20 | 47.0 | 0 | — | designed | |
| AFN-000749 | A | R1 Me · R2 H · Ar 3-CN-phenyl | C18H14N4 | 286.3 | 4.07 | 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