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-003200 | A | R1 OH · R2 Cl · Ar Phenyl | C16H12ClN3O | 297.8 | 4.25 | 58.0 | 0 | — | designed | |
| AFN-003201 | A | R1 OH · R2 Cl · Ar Pyridin-3-yl | C15H11ClN4O | 298.7 | 3.64 | 70.9 | 0 | — | designed | |
| AFN-003202 | A | R1 OH · R2 Cl · Ar Pyridin-4-yl | C15H11ClN4O | 298.7 | 3.64 | 70.9 | 0 | — | designed | |
| AFN-003203 | A | R1 OH · R2 Cl · Ar Pyridin-2-yl | C15H11ClN4O | 298.7 | 3.64 | 70.9 | 0 | — | designed | |
| AFN-003204 | A | R1 OH · R2 Cl · Ar 3-F-phenyl | C16H11ClFN3O | 315.7 | 4.39 | 58.0 | 0 | — | designed | |
| AFN-003205 | A | R1 OH · R2 Cl · Ar 4-F-phenyl | C16H11ClFN3O | 315.7 | 4.39 | 58.0 | 0 | — | designed | |
| AFN-003206 | A | R1 OH · R2 Cl · Ar 3-Cl-phenyl | C16H11Cl2N3O | 332.2 | 4.90 | 58.0 | 0 | — | designed | |
| AFN-003207 | A | R1 OH · R2 Cl · Ar 3-MeO-phenyl | C17H14ClN3O2 | 327.8 | 4.25 | 67.3 | 0 | — | designed | |
| AFN-003208 | A | R1 OH · R2 Cl · Ar 2-MeO-phenyl | C17H14ClN3O2 | 327.8 | 4.25 | 67.3 | 0 | — | designed | |
| AFN-003209 | A | R1 OH · R2 Cl · Ar 3-CN-phenyl | C17H11ClN4O | 322.8 | 4.12 | 81.8 | 1 | 7.12 | tested | |
| AFN-003210 | A | R1 OH · R2 Cl · Ar 3,5-diF-phenyl | C16H10ClF2N3O | 333.7 | 4.52 | 58.0 | 0 | — | designed | |
| AFN-003211 | A | R1 OH · R2 Cl · Ar Thiophen-2-yl | C14H10ClN3OS | 303.8 | 4.31 | 58.0 | 0 | — | designed | |
| AFN-003212 | A | R1 OH · R2 Cl · Ar Thiophen-3-yl | C14H10ClN3OS | 303.8 | 4.31 | 58.0 | 0 | — | designed | |
| AFN-003213 | A | R1 OH · R2 Cl · Ar Furan-3-yl | C14H10ClN3O2 | 287.7 | 3.84 | 71.2 | 0 | — | designed | |
| AFN-003214 | A | R1 OH · R2 Cl · Ar 1-Me-pyrazol-4-yl | C14H12ClN5O | 301.7 | 2.98 | 75.9 | 0 | — | designed | |
| AFN-003215 | A | R1 OH · R2 Cl · Ar 1-Me-indol-3-yl | C19H15ClN4O | 350.8 | 4.74 | 63.0 | 0 | — | designed | |
| AFN-003216 | A | R1 OH · R2 Cl · Ar Naphthalen-2-yl | C20H14ClN3O | 347.8 | 5.40 | 58.0 | 0 | — | designed | |
| AFN-003217 | A | R1 OH · R2 Cl · Ar Pyrimidin-5-yl | C14H10ClN5O | 299.7 | 3.04 | 83.8 | 0 | — | designed | |
| AFN-003218 | A | R1 OH · R2 Cl · Ar Quinolin-3-yl | C19H13ClN4O | 348.8 | 4.79 | 70.9 | 0 | — | designed | |
| AFN-003219 | A | R1 OH · R2 Cl · Ar 6-MeO-pyridin-3-yl | C16H13ClN4O2 | 328.8 | 3.65 | 80.2 | 0 | — | designed | |
| AFN-003220 | A | R1 OH · R2 Br · Ar Phenyl | C16H12BrN3O | 342.2 | 4.36 | 58.0 | 0 | — | designed | |
| AFN-003221 | A | R1 OH · R2 Br · Ar Pyridin-3-yl | C15H11BrN4O | 343.2 | 3.75 | 70.9 | 0 | — | designed | |
| AFN-003222 | A | R1 OH · R2 Br · Ar Pyridin-4-yl | C15H11BrN4O | 343.2 | 3.75 | 70.9 | 0 | — | designed | |
| AFN-003223 | A | R1 OH · R2 Br · Ar Pyridin-2-yl | C15H11BrN4O | 343.2 | 3.75 | 70.9 | 0 | — | designed | |
| AFN-003224 | A | R1 OH · R2 Br · Ar 3-F-phenyl | C16H11BrFN3O | 360.2 | 4.49 | 58.0 | 0 | — | designed | |
| AFN-003225 | A | R1 OH · R2 Br · Ar 4-F-phenyl | C16H11BrFN3O | 360.2 | 4.49 | 58.0 | 0 | — | designed | |
| AFN-003226 | A | R1 OH · R2 Br · Ar 3-Cl-phenyl | C16H11BrClN3O | 376.6 | 5.01 | 58.0 | 1 | 6.73 | tested | |
| AFN-003227 | A | R1 OH · R2 Br · Ar 3-MeO-phenyl | C17H14BrN3O2 | 372.2 | 4.36 | 67.3 | 1 | 6.91 | tested | |
| AFN-003228 | A | R1 OH · R2 Br · Ar 2-MeO-phenyl | C17H14BrN3O2 | 372.2 | 4.36 | 67.3 | 0 | — | designed | |
| AFN-003229 | A | R1 OH · R2 Br · Ar 3-CN-phenyl | C17H11BrN4O | 367.2 | 4.23 | 81.8 | 1 | 7.20 | tested | |
| AFN-003230 | A | R1 OH · R2 Br · Ar 3,5-diF-phenyl | C16H10BrF2N3O | 378.2 | 4.63 | 58.0 | 0 | — | designed | |
| AFN-003231 | A | R1 OH · R2 Br · Ar Thiophen-2-yl | C14H10BrN3OS | 348.2 | 4.42 | 58.0 | 0 | — | designed | |
| AFN-003232 | A | R1 OH · R2 Br · Ar Thiophen-3-yl | C14H10BrN3OS | 348.2 | 4.42 | 58.0 | 0 | — | designed | |
| AFN-003233 | A | R1 OH · R2 Br · Ar Furan-3-yl | C14H10BrN3O2 | 332.2 | 3.95 | 71.2 | 0 | — | designed | |
| AFN-003234 | A | R1 OH · R2 Br · Ar 1-Me-pyrazol-4-yl | C14H12BrN5O | 346.2 | 3.09 | 75.9 | 0 | — | designed | |
| AFN-003235 | A | R1 OH · R2 Br · Ar 1-Me-indol-3-yl | C19H15BrN4O | 395.3 | 4.85 | 63.0 | 0 | — | designed | |
| AFN-003236 | A | R1 OH · R2 Br · Ar Naphthalen-2-yl | C20H14BrN3O | 392.3 | 5.51 | 58.0 | 0 | — | designed | |
| AFN-003237 | A | R1 OH · R2 Br · Ar Pyrimidin-5-yl | C14H10BrN5O | 344.2 | 3.15 | 83.8 | 0 | — | designed | |
| AFN-003238 | A | R1 OH · R2 Br · Ar Quinolin-3-yl | C19H13BrN4O | 393.2 | 4.90 | 70.9 | 0 | — | designed | |
| AFN-003239 | A | R1 OH · R2 Br · Ar 6-MeO-pyridin-3-yl | C16H13BrN4O2 | 373.2 | 3.76 | 80.2 | 0 | — | designed | |
| AFN-003240 | A | R1 OH · R2 CF3 · Ar Phenyl | C17H12F3N3O | 331.3 | 4.61 | 58.0 | 0 | — | designed | |
| AFN-003241 | A | R1 OH · R2 CF3 · Ar Pyridin-3-yl | C16H11F3N4O | 332.3 | 4.01 | 70.9 | 0 | — | designed | |
| AFN-003242 | A | R1 OH · R2 CF3 · Ar Pyridin-4-yl | C16H11F3N4O | 332.3 | 4.01 | 70.9 | 0 | — | designed | |
| AFN-003243 | A | R1 OH · R2 CF3 · Ar Pyridin-2-yl | C16H11F3N4O | 332.3 | 4.01 | 70.9 | 0 | — | designed | |
| AFN-003244 | A | R1 OH · R2 CF3 · Ar 3-F-phenyl | C17H11F4N3O | 349.3 | 4.75 | 58.0 | 0 | — | designed | |
| AFN-003245 | A | R1 OH · R2 CF3 · Ar 4-F-phenyl | C17H11F4N3O | 349.3 | 4.75 | 58.0 | 0 | — | designed | |
| AFN-003246 | A | R1 OH · R2 CF3 · Ar 3-Cl-phenyl | C17H11ClF3N3O | 365.7 | 5.27 | 58.0 | 0 | — | designed | |
| AFN-003247 | A | R1 OH · R2 CF3 · Ar 3-MeO-phenyl | C18H14F3N3O2 | 361.3 | 4.62 | 67.3 | 0 | — | designed | |
| AFN-003248 | A | R1 OH · R2 CF3 · Ar 2-MeO-phenyl | C18H14F3N3O2 | 361.3 | 4.62 | 67.3 | 0 | — | designed | |
| AFN-003249 | A | R1 OH · R2 CF3 · Ar 3-CN-phenyl | C18H11F3N4O | 356.3 | 4.48 | 81.8 | 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