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-000800 | A | R1 Me · R2 Cl · Ar Phenyl | C17H14ClN3 | 295.8 | 4.85 | 37.8 | 0 | — | designed | |
| AFN-000801 | A | R1 Me · R2 Cl · Ar Pyridin-3-yl | C16H13ClN4 | 296.8 | 4.24 | 50.7 | 0 | — | designed | |
| AFN-000802 | A | R1 Me · R2 Cl · Ar Pyridin-4-yl | C16H13ClN4 | 296.8 | 4.24 | 50.7 | 0 | — | designed | |
| AFN-000803 | A | R1 Me · R2 Cl · Ar Pyridin-2-yl | C16H13ClN4 | 296.8 | 4.24 | 50.7 | 0 | — | designed | |
| AFN-000804 | A | R1 Me · R2 Cl · Ar 3-F-phenyl | C17H13ClFN3 | 313.8 | 4.99 | 37.8 | 0 | — | designed | |
| AFN-000805 | A | R1 Me · R2 Cl · Ar 4-F-phenyl | C17H13ClFN3 | 313.8 | 4.99 | 37.8 | 1 | 7.06 | tested | |
| AFN-000806 | A | R1 Me · R2 Cl · Ar 3-Cl-phenyl | C17H13Cl2N3 | 330.2 | 5.50 | 37.8 | 0 | — | designed | |
| AFN-000807 | A | R1 Me · R2 Cl · Ar 3-MeO-phenyl | C18H16ClN3O | 325.8 | 4.86 | 47.0 | 0 | — | designed | |
| AFN-000808 | A | R1 Me · R2 Cl · Ar 2-MeO-phenyl | C18H16ClN3O | 325.8 | 4.86 | 47.0 | 0 | — | designed | |
| AFN-000809 | A | R1 Me · R2 Cl · Ar 3-CN-phenyl | C18H13ClN4 | 320.8 | 4.72 | 61.6 | 0 | — | designed | |
| AFN-000810 | A | R1 Me · R2 Cl · Ar 3,5-diF-phenyl | C17H12ClF2N3 | 331.8 | 5.13 | 37.8 | 0 | — | designed | |
| AFN-000811 | A | R1 Me · R2 Cl · Ar Thiophen-2-yl | C15H12ClN3S | 301.8 | 4.91 | 37.8 | 0 | — | designed | |
| AFN-000812 | A | R1 Me · R2 Cl · Ar Thiophen-3-yl | C15H12ClN3S | 301.8 | 4.91 | 37.8 | 0 | — | designed | |
| AFN-000813 | A | R1 Me · R2 Cl · Ar Furan-3-yl | C15H12ClN3O | 285.7 | 4.44 | 51.0 | 0 | — | designed | |
| AFN-000814 | A | R1 Me · R2 Cl · Ar 1-Me-pyrazol-4-yl | C15H14ClN5 | 299.8 | 3.58 | 55.6 | 0 | — | designed | |
| AFN-000815 | A | R1 Me · R2 Cl · Ar 1-Me-indol-3-yl | C20H17ClN4 | 348.8 | 5.34 | 42.7 | 0 | — | designed | |
| AFN-000816 | A | R1 Me · R2 Cl · Ar Naphthalen-2-yl | C21H16ClN3 | 345.8 | 6.00 | 37.8 | 1 | 7.00 | tested | |
| AFN-000817 | A | R1 Me · R2 Cl · Ar Pyrimidin-5-yl | C15H12ClN5 | 297.8 | 3.64 | 63.6 | 0 | — | designed | |
| AFN-000818 | A | R1 Me · R2 Cl · Ar Quinolin-3-yl | C20H15ClN4 | 346.8 | 5.40 | 50.7 | 0 | — | designed | |
| AFN-000819 | A | R1 Me · R2 Cl · Ar 6-MeO-pyridin-3-yl | C17H15ClN4O | 326.8 | 4.25 | 59.9 | 0 | — | designed | |
| AFN-000820 | A | R1 Me · R2 Br · Ar Phenyl | C17H14BrN3 | 340.2 | 4.96 | 37.8 | 0 | — | designed | |
| AFN-000821 | A | R1 Me · R2 Br · Ar Pyridin-3-yl | C16H13BrN4 | 341.2 | 4.35 | 50.7 | 0 | — | designed | |
| AFN-000822 | A | R1 Me · R2 Br · Ar Pyridin-4-yl | C16H13BrN4 | 341.2 | 4.35 | 50.7 | 0 | — | designed | |
| AFN-000823 | A | R1 Me · R2 Br · Ar Pyridin-2-yl | C16H13BrN4 | 341.2 | 4.35 | 50.7 | 0 | — | designed | |
| AFN-000824 | A | R1 Me · R2 Br · Ar 3-F-phenyl | C17H13BrFN3 | 358.2 | 5.10 | 37.8 | 0 | — | designed | |
| AFN-000825 | A | R1 Me · R2 Br · Ar 4-F-phenyl | C17H13BrFN3 | 358.2 | 5.10 | 37.8 | 0 | — | designed | |
| AFN-000826 | A | R1 Me · R2 Br · Ar 3-Cl-phenyl | C17H13BrClN3 | 374.7 | 5.61 | 37.8 | 0 | — | designed | |
| AFN-000827 | A | R1 Me · R2 Br · Ar 3-MeO-phenyl | C18H16BrN3O | 370.3 | 4.97 | 47.0 | 1 | 7.36 | tested | |
| AFN-000828 | A | R1 Me · R2 Br · Ar 2-MeO-phenyl | C18H16BrN3O | 370.3 | 4.97 | 47.0 | 0 | — | designed | |
| AFN-000829 | A | R1 Me · R2 Br · Ar 3-CN-phenyl | C18H13BrN4 | 365.2 | 4.83 | 61.6 | 0 | — | designed | |
| AFN-000830 | A | R1 Me · R2 Br · Ar 3,5-diF-phenyl | C17H12BrF2N3 | 376.2 | 5.24 | 37.8 | 0 | — | designed | |
| AFN-000831 | A | R1 Me · R2 Br · Ar Thiophen-2-yl | C15H12BrN3S | 346.3 | 5.02 | 37.8 | 0 | — | designed | |
| AFN-000832 | A | R1 Me · R2 Br · Ar Thiophen-3-yl | C15H12BrN3S | 346.3 | 5.02 | 37.8 | 0 | — | designed | |
| AFN-000833 | A | R1 Me · R2 Br · Ar Furan-3-yl | C15H12BrN3O | 330.2 | 4.55 | 51.0 | 0 | — | designed | |
| AFN-000834 | A | R1 Me · R2 Br · Ar 1-Me-pyrazol-4-yl | C15H14BrN5 | 344.2 | 3.69 | 55.6 | 1 | 7.50 | tested | |
| AFN-000835 | A | R1 Me · R2 Br · Ar 1-Me-indol-3-yl | C20H17BrN4 | 393.3 | 5.45 | 42.7 | 0 | — | designed | |
| AFN-000836 | A | R1 Me · R2 Br · Ar Naphthalen-2-yl | C21H16BrN3 | 390.3 | 6.11 | 37.8 | 1 | — | tested | |
| AFN-000837 | A | R1 Me · R2 Br · Ar Pyrimidin-5-yl | C15H12BrN5 | 342.2 | 3.75 | 63.6 | 0 | — | designed | |
| AFN-000838 | A | R1 Me · R2 Br · Ar Quinolin-3-yl | C20H15BrN4 | 391.3 | 5.51 | 50.7 | 1 | 7.78 | tested | |
| AFN-000839 | A | R1 Me · R2 Br · Ar 6-MeO-pyridin-3-yl | C17H15BrN4O | 371.2 | 4.36 | 59.9 | 0 | — | designed | |
| AFN-000840 | A | R1 Me · R2 CF3 · Ar Phenyl | C18H14F3N3 | 329.3 | 5.21 | 37.8 | 0 | — | designed | |
| AFN-000841 | A | R1 Me · R2 CF3 · Ar Pyridin-3-yl | C17H13F3N4 | 330.3 | 4.61 | 50.7 | 0 | — | designed | |
| AFN-000842 | A | R1 Me · R2 CF3 · Ar Pyridin-4-yl | C17H13F3N4 | 330.3 | 4.61 | 50.7 | 0 | — | designed | |
| AFN-000843 | A | R1 Me · R2 CF3 · Ar Pyridin-2-yl | C17H13F3N4 | 330.3 | 4.61 | 50.7 | 0 | — | designed | |
| AFN-000844 | A | R1 Me · R2 CF3 · Ar 3-F-phenyl | C18H13F4N3 | 347.3 | 5.35 | 37.8 | 0 | — | designed | |
| AFN-000845 | A | R1 Me · R2 CF3 · Ar 4-F-phenyl | C18H13F4N3 | 347.3 | 5.35 | 37.8 | 0 | — | designed | |
| AFN-000846 | A | R1 Me · R2 CF3 · Ar 3-Cl-phenyl | C18H13ClF3N3 | 363.8 | 5.87 | 37.8 | 0 | — | designed | |
| AFN-000847 | A | R1 Me · R2 CF3 · Ar 3-MeO-phenyl | C19H16F3N3O | 359.4 | 5.22 | 47.0 | 0 | — | designed | |
| AFN-000848 | A | R1 Me · R2 CF3 · Ar 2-MeO-phenyl | C19H16F3N3O | 359.4 | 5.22 | 47.0 | 0 | — | designed | |
| AFN-000849 | A | R1 Me · R2 CF3 · Ar 3-CN-phenyl | C19H13F3N4 | 354.3 | 5.09 | 61.6 | 1 | 6.84 | tested |
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