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-001150 | A | R1 iPr · R2 Br · Ar 3,5-diF-phenyl | C19H16BrF2N3 | 404.3 | 6.05 | 37.8 | 0 | — | designed | |
| AFN-001151 | A | R1 iPr · R2 Br · Ar Thiophen-2-yl | C17H16BrN3S | 374.3 | 5.83 | 37.8 | 0 | — | designed | |
| AFN-001152 | A | R1 iPr · R2 Br · Ar Thiophen-3-yl | C17H16BrN3S | 374.3 | 5.83 | 37.8 | 0 | — | designed | |
| AFN-001153 | A | R1 iPr · R2 Br · Ar Furan-3-yl | C17H16BrN3O | 358.2 | 5.37 | 51.0 | 0 | — | designed | |
| AFN-001154 | A | R1 iPr · R2 Br · Ar 1-Me-pyrazol-4-yl | C17H18BrN5 | 372.3 | 4.51 | 55.6 | 0 | — | designed | |
| AFN-001155 | A | R1 iPr · R2 Br · Ar 1-Me-indol-3-yl | C22H21BrN4 | 421.3 | 6.26 | 42.7 | 0 | — | designed | |
| AFN-001156 | A | R1 iPr · R2 Br · Ar Naphthalen-2-yl | C23H20BrN3 | 418.3 | 6.93 | 37.8 | 0 | — | designed | |
| AFN-001157 | A | R1 iPr · R2 Br · Ar Pyrimidin-5-yl | C17H16BrN5 | 370.3 | 4.56 | 63.6 | 0 | — | designed | |
| AFN-001158 | A | R1 iPr · R2 Br · Ar Quinolin-3-yl | C22H19BrN4 | 419.3 | 6.32 | 50.7 | 0 | — | designed | |
| AFN-001159 | A | R1 iPr · R2 Br · Ar 6-MeO-pyridin-3-yl | C19H19BrN4O | 399.3 | 5.18 | 59.9 | 0 | — | designed | |
| AFN-001160 | A | R1 iPr · R2 CF3 · Ar Phenyl | C20H18F3N3 | 357.4 | 6.03 | 37.8 | 0 | — | designed | |
| AFN-001161 | A | R1 iPr · R2 CF3 · Ar Pyridin-3-yl | C19H17F3N4 | 358.4 | 5.42 | 50.7 | 0 | — | designed | |
| AFN-001162 | A | R1 iPr · R2 CF3 · Ar Pyridin-4-yl | C19H17F3N4 | 358.4 | 5.42 | 50.7 | 0 | — | designed | |
| AFN-001163 | A | R1 iPr · R2 CF3 · Ar Pyridin-2-yl | C19H17F3N4 | 358.4 | 5.42 | 50.7 | 0 | — | designed | |
| AFN-001164 | A | R1 iPr · R2 CF3 · Ar 3-F-phenyl | C20H17F4N3 | 375.4 | 6.17 | 37.8 | 0 | — | designed | |
| AFN-001165 | A | R1 iPr · R2 CF3 · Ar 4-F-phenyl | C20H17F4N3 | 375.4 | 6.17 | 37.8 | 0 | — | designed | |
| AFN-001166 | A | R1 iPr · R2 CF3 · Ar 3-Cl-phenyl | C20H17ClF3N3 | 391.8 | 6.68 | 37.8 | 0 | — | designed | |
| AFN-001167 | A | R1 iPr · R2 CF3 · Ar 3-MeO-phenyl | C21H20F3N3O | 387.4 | 6.04 | 47.0 | 0 | — | designed | |
| AFN-001168 | A | R1 iPr · R2 CF3 · Ar 2-MeO-phenyl | C21H20F3N3O | 387.4 | 6.04 | 47.0 | 0 | — | designed | |
| AFN-001169 | A | R1 iPr · R2 CF3 · Ar 3-CN-phenyl | C21H17F3N4 | 382.4 | 5.90 | 61.6 | 0 | — | designed | |
| AFN-001170 | A | R1 iPr · R2 CF3 · Ar 3,5-diF-phenyl | C20H16F5N3 | 393.4 | 6.31 | 37.8 | 0 | — | designed | |
| AFN-001171 | A | R1 iPr · R2 CF3 · Ar Thiophen-2-yl | C18H16F3N3S | 363.4 | 6.09 | 37.8 | 0 | — | designed | |
| AFN-001172 | A | R1 iPr · R2 CF3 · Ar Thiophen-3-yl | C18H16F3N3S | 363.4 | 6.09 | 37.8 | 0 | — | designed | |
| AFN-001173 | A | R1 iPr · R2 CF3 · Ar Furan-3-yl | C18H16F3N3O | 347.3 | 5.62 | 51.0 | 0 | — | designed | |
| AFN-001174 | A | R1 iPr · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C18H18F3N5 | 361.4 | 4.76 | 55.6 | 1 | 6.58 | tested | |
| AFN-001175 | A | R1 iPr · R2 CF3 · Ar 1-Me-indol-3-yl | C23H21F3N4 | 410.4 | 6.52 | 42.7 | 0 | — | designed | |
| AFN-001176 | A | R1 iPr · R2 CF3 · Ar Naphthalen-2-yl | C24H20F3N3 | 407.4 | 7.18 | 37.8 | 0 | — | designed | |
| AFN-001177 | A | R1 iPr · R2 CF3 · Ar Pyrimidin-5-yl | C18H16F3N5 | 359.4 | 4.82 | 63.6 | 0 | — | designed | |
| AFN-001178 | A | R1 iPr · R2 CF3 · Ar Quinolin-3-yl | C23H19F3N4 | 408.4 | 6.58 | 50.7 | 0 | — | designed | |
| AFN-001179 | A | R1 iPr · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C20H19F3N4O | 388.4 | 5.43 | 59.9 | 0 | — | designed | |
| AFN-001180 | A | R1 iPr · R2 CN · Ar Phenyl | C20H18N4 | 314.4 | 4.88 | 61.6 | 0 | — | designed | |
| AFN-001181 | A | R1 iPr · R2 CN · Ar Pyridin-3-yl | C19H17N5 | 315.4 | 4.28 | 74.5 | 0 | — | designed | |
| AFN-001182 | A | R1 iPr · R2 CN · Ar Pyridin-4-yl | C19H17N5 | 315.4 | 4.28 | 74.5 | 0 | — | designed | |
| AFN-001183 | A | R1 iPr · R2 CN · Ar Pyridin-2-yl | C19H17N5 | 315.4 | 4.28 | 74.5 | 0 | — | designed | |
| AFN-001184 | A | R1 iPr · R2 CN · Ar 3-F-phenyl | C20H17FN4 | 332.4 | 5.02 | 61.6 | 0 | — | designed | |
| AFN-001185 | A | R1 iPr · R2 CN · Ar 4-F-phenyl | C20H17FN4 | 332.4 | 5.02 | 61.6 | 1 | — | tested | |
| AFN-001186 | A | R1 iPr · R2 CN · Ar 3-Cl-phenyl | C20H17ClN4 | 348.8 | 5.54 | 61.6 | 0 | — | designed | |
| AFN-001187 | A | R1 iPr · R2 CN · Ar 3-MeO-phenyl | C21H20N4O | 344.4 | 4.89 | 70.8 | 0 | — | designed | |
| AFN-001188 | A | R1 iPr · R2 CN · Ar 2-MeO-phenyl | C21H20N4O | 344.4 | 4.89 | 70.8 | 0 | — | designed | |
| AFN-001189 | A | R1 iPr · R2 CN · Ar 3-CN-phenyl | C21H17N5 | 339.4 | 4.75 | 85.4 | 0 | — | designed | |
| AFN-001190 | A | R1 iPr · R2 CN · Ar 3,5-diF-phenyl | C20H16F2N4 | 350.4 | 5.16 | 61.6 | 0 | — | designed | |
| AFN-001191 | A | R1 iPr · R2 CN · Ar Thiophen-2-yl | C18H16N4S | 320.4 | 4.94 | 61.6 | 0 | — | designed | |
| AFN-001192 | A | R1 iPr · R2 CN · Ar Thiophen-3-yl | C18H16N4S | 320.4 | 4.94 | 61.6 | 0 | — | designed | |
| AFN-001193 | A | R1 iPr · R2 CN · Ar Furan-3-yl | C18H16N4O | 304.4 | 4.48 | 74.7 | 0 | — | designed | |
| AFN-001194 | A | R1 iPr · R2 CN · Ar 1-Me-pyrazol-4-yl | C18H18N6 | 318.4 | 3.62 | 79.4 | 0 | — | designed | |
| AFN-001195 | A | R1 iPr · R2 CN · Ar 1-Me-indol-3-yl | C23H21N5 | 367.5 | 5.37 | 66.5 | 0 | — | designed | |
| AFN-001196 | A | R1 iPr · R2 CN · Ar Naphthalen-2-yl | C24H20N4 | 364.4 | 6.04 | 61.6 | 0 | — | designed | |
| AFN-001197 | A | R1 iPr · R2 CN · Ar Pyrimidin-5-yl | C18H16N6 | 316.4 | 3.67 | 87.4 | 0 | — | designed | |
| AFN-001198 | A | R1 iPr · R2 CN · Ar Quinolin-3-yl | C23H19N5 | 365.4 | 5.43 | 74.5 | 0 | — | designed | |
| AFN-001199 | A | R1 iPr · R2 CN · Ar 6-MeO-pyridin-3-yl | C20H19N5O | 345.4 | 4.29 | 83.7 | 1 | 7.21 | 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