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-000150 | A | R1 H · R2 F · Ar 3,5-diF-phenyl | C16H10F3N3 | 301.3 | 4.30 | 37.8 | 1 | 7.10 | tested | |
| AFN-000151 | A | R1 H · R2 F · Ar Thiophen-2-yl | C14H10FN3S | 271.3 | 4.09 | 37.8 | 0 | — | designed | |
| AFN-000152 | A | R1 H · R2 F · Ar Thiophen-3-yl | C14H10FN3S | 271.3 | 4.09 | 37.8 | 1 | 6.99 | tested | |
| AFN-000153 | A | R1 H · R2 F · Ar Furan-3-yl | C14H10FN3O | 255.3 | 3.62 | 51.0 | 0 | — | designed | |
| AFN-000154 | A | R1 H · R2 F · Ar 1-Me-pyrazol-4-yl | C14H12FN5 | 269.3 | 2.76 | 55.6 | 1 | 7.36 | tested | |
| AFN-000155 | A | R1 H · R2 F · Ar 1-Me-indol-3-yl | C19H15FN4 | 318.4 | 4.52 | 42.7 | 0 | — | designed | |
| AFN-000156 | A | R1 H · R2 F · Ar Naphthalen-2-yl | C20H14FN3 | 315.4 | 5.18 | 37.8 | 0 | — | designed | |
| AFN-000157 | A | R1 H · R2 F · Ar Pyrimidin-5-yl | C14H10FN5 | 267.3 | 2.82 | 63.6 | 0 | — | designed | |
| AFN-000158 | A | R1 H · R2 F · Ar Quinolin-3-yl | C19H13FN4 | 316.3 | 4.57 | 50.7 | 0 | — | designed | |
| AFN-000159 | A | R1 H · R2 F · Ar 6-MeO-pyridin-3-yl | C16H13FN4O | 296.3 | 3.43 | 59.9 | 0 | — | designed | |
| AFN-000160 | A | R1 H · R2 Cl · Ar Phenyl | C16H12ClN3 | 281.8 | 4.54 | 37.8 | 0 | — | designed | |
| AFN-000161 | A | R1 H · R2 Cl · Ar Pyridin-3-yl | C15H11ClN4 | 282.7 | 3.94 | 50.7 | 1 | 7.35 | tested | |
| AFN-000162 | A | R1 H · R2 Cl · Ar Pyridin-4-yl | C15H11ClN4 | 282.7 | 3.94 | 50.7 | 0 | — | designed | |
| AFN-000163 | A | R1 H · R2 Cl · Ar Pyridin-2-yl | C15H11ClN4 | 282.7 | 3.94 | 50.7 | 0 | — | designed | |
| AFN-000164 | A | R1 H · R2 Cl · Ar 3-F-phenyl | C16H11ClFN3 | 299.7 | 4.68 | 37.8 | 1 | 6.98 | tested | |
| AFN-000165 | A | R1 H · R2 Cl · Ar 4-F-phenyl | C16H11ClFN3 | 299.7 | 4.68 | 37.8 | 0 | — | designed | |
| AFN-000166 | A | R1 H · R2 Cl · Ar 3-Cl-phenyl | C16H11Cl2N3 | 316.2 | 5.19 | 37.8 | 0 | — | designed | |
| AFN-000167 | A | R1 H · R2 Cl · Ar 3-MeO-phenyl | C17H14ClN3O | 311.8 | 4.55 | 47.0 | 1 | 7.11 | tested | |
| AFN-000168 | A | R1 H · R2 Cl · Ar 2-MeO-phenyl | C17H14ClN3O | 311.8 | 4.55 | 47.0 | 0 | — | designed | |
| AFN-000169 | A | R1 H · R2 Cl · Ar 3-CN-phenyl | C17H11ClN4 | 306.8 | 4.41 | 61.6 | 0 | — | designed | |
| AFN-000170 | A | R1 H · R2 Cl · Ar 3,5-diF-phenyl | C16H10ClF2N3 | 317.7 | 4.82 | 37.8 | 0 | — | designed | |
| AFN-000171 | A | R1 H · R2 Cl · Ar Thiophen-2-yl | C14H10ClN3S | 287.8 | 4.60 | 37.8 | 1 | 7.05 | tested | |
| AFN-000172 | A | R1 H · R2 Cl · Ar Thiophen-3-yl | C14H10ClN3S | 287.8 | 4.60 | 37.8 | 0 | — | designed | |
| AFN-000173 | A | R1 H · R2 Cl · Ar Furan-3-yl | C14H10ClN3O | 271.7 | 4.13 | 51.0 | 0 | — | designed | |
| AFN-000174 | A | R1 H · R2 Cl · Ar 1-Me-pyrazol-4-yl | C14H12ClN5 | 285.7 | 3.27 | 55.6 | 0 | — | designed | |
| AFN-000175 | A | R1 H · R2 Cl · Ar 1-Me-indol-3-yl | C19H15ClN4 | 334.8 | 5.03 | 42.7 | 0 | — | designed | |
| AFN-000176 | A | R1 H · R2 Cl · Ar Naphthalen-2-yl | C20H14ClN3 | 331.8 | 5.69 | 37.8 | 0 | — | designed | |
| AFN-000177 | A | R1 H · R2 Cl · Ar Pyrimidin-5-yl | C14H10ClN5 | 283.7 | 3.33 | 63.6 | 0 | — | designed | |
| AFN-000178 | A | R1 H · R2 Cl · Ar Quinolin-3-yl | C19H13ClN4 | 332.8 | 5.09 | 50.7 | 0 | — | designed | |
| AFN-000179 | A | R1 H · R2 Cl · Ar 6-MeO-pyridin-3-yl | C16H13ClN4O | 312.8 | 3.94 | 59.9 | 1 | 7.53 | tested | |
| AFN-000180 | A | R1 H · R2 Br · Ar Phenyl | C16H12BrN3 | 326.2 | 4.65 | 37.8 | 0 | — | designed | |
| AFN-000181 | A | R1 H · R2 Br · Ar Pyridin-3-yl | C15H11BrN4 | 327.2 | 4.04 | 50.7 | 0 | — | designed | |
| AFN-000182 | A | R1 H · R2 Br · Ar Pyridin-4-yl | C15H11BrN4 | 327.2 | 4.04 | 50.7 | 0 | — | designed | |
| AFN-000183 | A | R1 H · R2 Br · Ar Pyridin-2-yl | C15H11BrN4 | 327.2 | 4.04 | 50.7 | 0 | — | designed | |
| AFN-000184 | A | R1 H · R2 Br · Ar 3-F-phenyl | C16H11BrFN3 | 344.2 | 4.79 | 37.8 | 0 | — | designed | |
| AFN-000185 | A | R1 H · R2 Br · Ar 4-F-phenyl | C16H11BrFN3 | 344.2 | 4.79 | 37.8 | 0 | — | designed | |
| AFN-000186 | A | R1 H · R2 Br · Ar 3-Cl-phenyl | C16H11BrClN3 | 360.6 | 5.30 | 37.8 | 0 | — | designed | |
| AFN-000187 | A | R1 H · R2 Br · Ar 3-MeO-phenyl | C17H14BrN3O | 356.2 | 4.66 | 47.0 | 0 | — | designed | |
| AFN-000188 | A | R1 H · R2 Br · Ar 2-MeO-phenyl | C17H14BrN3O | 356.2 | 4.66 | 47.0 | 1 | 6.39 | tested | |
| AFN-000189 | A | R1 H · R2 Br · Ar 3-CN-phenyl | C17H11BrN4 | 351.2 | 4.52 | 61.6 | 0 | — | designed | |
| AFN-000190 | A | R1 H · R2 Br · Ar 3,5-diF-phenyl | C16H10BrF2N3 | 362.2 | 4.93 | 37.8 | 0 | — | designed | |
| AFN-000191 | A | R1 H · R2 Br · Ar Thiophen-2-yl | C14H10BrN3S | 332.2 | 4.71 | 37.8 | 0 | — | designed | |
| AFN-000192 | A | R1 H · R2 Br · Ar Thiophen-3-yl | C14H10BrN3S | 332.2 | 4.71 | 37.8 | 0 | — | designed | |
| AFN-000193 | A | R1 H · R2 Br · Ar Furan-3-yl | C14H10BrN3O | 316.2 | 4.24 | 51.0 | 0 | — | designed | |
| AFN-000194 | A | R1 H · R2 Br · Ar 1-Me-pyrazol-4-yl | C14H12BrN5 | 330.2 | 3.38 | 55.6 | 0 | — | designed | |
| AFN-000195 | A | R1 H · R2 Br · Ar 1-Me-indol-3-yl | C19H15BrN4 | 379.3 | 5.14 | 42.7 | 1 | 6.74 | tested | |
| AFN-000196 | A | R1 H · R2 Br · Ar Naphthalen-2-yl | C20H14BrN3 | 376.3 | 5.80 | 37.8 | 1 | 6.75 | tested | |
| AFN-000197 | A | R1 H · R2 Br · Ar Pyrimidin-5-yl | C14H10BrN5 | 328.2 | 3.44 | 63.6 | 0 | — | designed | |
| AFN-000198 | A | R1 H · R2 Br · Ar Quinolin-3-yl | C19H13BrN4 | 377.3 | 5.20 | 50.7 | 0 | — | designed | |
| AFN-000199 | A | R1 H · R2 Br · Ar 6-MeO-pyridin-3-yl | C16H13BrN4O | 357.2 | 4.05 | 59.9 | 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