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-003150 | A | R1 OH · R2 H · Ar 3,5-diF-phenyl | C16H11F2N3O | 299.3 | 3.87 | 58.0 | 0 | — | designed | |
| AFN-003151 | A | R1 OH · R2 H · Ar Thiophen-2-yl | C14H11N3OS | 269.3 | 3.65 | 58.0 | 0 | — | designed | |
| AFN-003152 | A | R1 OH · R2 H · Ar Thiophen-3-yl | C14H11N3OS | 269.3 | 3.65 | 58.0 | 0 | — | designed | |
| AFN-003153 | A | R1 OH · R2 H · Ar Furan-3-yl | C14H11N3O2 | 253.3 | 3.19 | 71.2 | 0 | — | designed | |
| AFN-003154 | A | R1 OH · R2 H · Ar 1-Me-pyrazol-4-yl | C14H13N5O | 267.3 | 2.33 | 75.9 | 0 | — | designed | |
| AFN-003155 | A | R1 OH · R2 H · Ar 1-Me-indol-3-yl | C19H16N4O | 316.4 | 4.08 | 63.0 | 0 | — | designed | |
| AFN-003156 | A | R1 OH · R2 H · Ar Naphthalen-2-yl | C20H15N3O | 313.4 | 4.75 | 58.0 | 0 | — | designed | |
| AFN-003157 | A | R1 OH · R2 H · Ar Pyrimidin-5-yl | C14H11N5O | 265.3 | 2.38 | 83.8 | 0 | — | designed | |
| AFN-003158 | A | R1 OH · R2 H · Ar Quinolin-3-yl | C19H14N4O | 314.4 | 4.14 | 70.9 | 0 | — | designed | |
| AFN-003159 | A | R1 OH · R2 H · Ar 6-MeO-pyridin-3-yl | C16H14N4O2 | 294.3 | 3.00 | 80.2 | 0 | — | designed | |
| AFN-003160 | A | R1 OH · R2 Me · Ar Phenyl | C17H15N3O | 277.3 | 3.90 | 58.0 | 1 | 6.76 | tested | |
| AFN-003161 | A | R1 OH · R2 Me · Ar Pyridin-3-yl | C16H14N4O | 278.3 | 3.30 | 70.9 | 0 | — | designed | |
| AFN-003162 | A | R1 OH · R2 Me · Ar Pyridin-4-yl | C16H14N4O | 278.3 | 3.30 | 70.9 | 0 | — | designed | |
| AFN-003163 | A | R1 OH · R2 Me · Ar Pyridin-2-yl | C16H14N4O | 278.3 | 3.30 | 70.9 | 0 | — | designed | |
| AFN-003164 | A | R1 OH · R2 Me · Ar 3-F-phenyl | C17H14FN3O | 295.3 | 4.04 | 58.0 | 0 | — | designed | |
| AFN-003165 | A | R1 OH · R2 Me · Ar 4-F-phenyl | C17H14FN3O | 295.3 | 4.04 | 58.0 | 0 | — | designed | |
| AFN-003166 | A | R1 OH · R2 Me · Ar 3-Cl-phenyl | C17H14ClN3O | 311.8 | 4.55 | 58.0 | 1 | 7.00 | tested | |
| AFN-003167 | A | R1 OH · R2 Me · Ar 3-MeO-phenyl | C18H17N3O2 | 307.4 | 3.91 | 67.3 | 0 | — | designed | |
| AFN-003168 | A | R1 OH · R2 Me · Ar 2-MeO-phenyl | C18H17N3O2 | 307.4 | 3.91 | 67.3 | 0 | — | designed | |
| AFN-003169 | A | R1 OH · R2 Me · Ar 3-CN-phenyl | C18H14N4O | 302.3 | 3.77 | 81.8 | 0 | — | designed | |
| AFN-003170 | A | R1 OH · R2 Me · Ar 3,5-diF-phenyl | C17H13F2N3O | 313.3 | 4.18 | 58.0 | 0 | — | designed | |
| AFN-003171 | A | R1 OH · R2 Me · Ar Thiophen-2-yl | C15H13N3OS | 283.4 | 3.96 | 58.0 | 0 | — | designed | |
| AFN-003172 | A | R1 OH · R2 Me · Ar Thiophen-3-yl | C15H13N3OS | 283.4 | 3.96 | 58.0 | 0 | — | designed | |
| AFN-003173 | A | R1 OH · R2 Me · Ar Furan-3-yl | C15H13N3O2 | 267.3 | 3.49 | 71.2 | 1 | 7.19 | tested | |
| AFN-003174 | A | R1 OH · R2 Me · Ar 1-Me-pyrazol-4-yl | C15H15N5O | 281.3 | 2.63 | 75.9 | 0 | — | designed | |
| AFN-003175 | A | R1 OH · R2 Me · Ar 1-Me-indol-3-yl | C20H18N4O | 330.4 | 4.39 | 63.0 | 0 | — | designed | |
| AFN-003176 | A | R1 OH · R2 Me · Ar Naphthalen-2-yl | C21H17N3O | 327.4 | 5.05 | 58.0 | 0 | — | designed | |
| AFN-003177 | A | R1 OH · R2 Me · Ar Pyrimidin-5-yl | C15H13N5O | 279.3 | 2.69 | 83.8 | 0 | — | designed | |
| AFN-003178 | A | R1 OH · R2 Me · Ar Quinolin-3-yl | C20H16N4O | 328.4 | 4.45 | 70.9 | 0 | — | designed | |
| AFN-003179 | A | R1 OH · R2 Me · Ar 6-MeO-pyridin-3-yl | C17H16N4O2 | 308.3 | 3.30 | 80.2 | 0 | — | designed | |
| AFN-003180 | A | R1 OH · R2 F · Ar Phenyl | C16H12FN3O | 281.3 | 3.73 | 58.0 | 0 | — | designed | |
| AFN-003181 | A | R1 OH · R2 F · Ar Pyridin-3-yl | C15H11FN4O | 282.3 | 3.13 | 70.9 | 0 | — | designed | |
| AFN-003182 | A | R1 OH · R2 F · Ar Pyridin-4-yl | C15H11FN4O | 282.3 | 3.13 | 70.9 | 1 | 6.93 | tested | |
| AFN-003183 | A | R1 OH · R2 F · Ar Pyridin-2-yl | C15H11FN4O | 282.3 | 3.13 | 70.9 | 0 | — | designed | |
| AFN-003184 | A | R1 OH · R2 F · Ar 3-F-phenyl | C16H11F2N3O | 299.3 | 3.87 | 58.0 | 0 | — | designed | |
| AFN-003185 | A | R1 OH · R2 F · Ar 4-F-phenyl | C16H11F2N3O | 299.3 | 3.87 | 58.0 | 1 | 6.72 | tested | |
| AFN-003186 | A | R1 OH · R2 F · Ar 3-Cl-phenyl | C16H11ClFN3O | 315.7 | 4.39 | 58.0 | 1 | 7.09 | tested | |
| AFN-003187 | A | R1 OH · R2 F · Ar 3-MeO-phenyl | C17H14FN3O2 | 311.3 | 3.74 | 67.3 | 0 | — | designed | |
| AFN-003188 | A | R1 OH · R2 F · Ar 2-MeO-phenyl | C17H14FN3O2 | 311.3 | 3.74 | 67.3 | 0 | — | designed | |
| AFN-003189 | A | R1 OH · R2 F · Ar 3-CN-phenyl | C17H11FN4O | 306.3 | 3.60 | 81.8 | 0 | — | designed | |
| AFN-003190 | A | R1 OH · R2 F · Ar 3,5-diF-phenyl | C16H10F3N3O | 317.3 | 4.01 | 58.0 | 0 | — | designed | |
| AFN-003191 | A | R1 OH · R2 F · Ar Thiophen-2-yl | C14H10FN3OS | 287.3 | 3.79 | 58.0 | 0 | — | designed | |
| AFN-003192 | A | R1 OH · R2 F · Ar Thiophen-3-yl | C14H10FN3OS | 287.3 | 3.79 | 58.0 | 0 | — | designed | |
| AFN-003193 | A | R1 OH · R2 F · Ar Furan-3-yl | C14H10FN3O2 | 271.3 | 3.32 | 71.2 | 1 | 6.81 | tested | |
| AFN-003194 | A | R1 OH · R2 F · Ar 1-Me-pyrazol-4-yl | C14H12FN5O | 285.3 | 2.47 | 75.9 | 0 | — | designed | |
| AFN-003195 | A | R1 OH · R2 F · Ar 1-Me-indol-3-yl | C19H15FN4O | 334.4 | 4.22 | 63.0 | 0 | — | designed | |
| AFN-003196 | A | R1 OH · R2 F · Ar Naphthalen-2-yl | C20H14FN3O | 331.4 | 4.89 | 58.0 | 1 | 6.90 | tested | |
| AFN-003197 | A | R1 OH · R2 F · Ar Pyrimidin-5-yl | C14H10FN5O | 283.3 | 2.52 | 83.8 | 0 | — | designed | |
| AFN-003198 | A | R1 OH · R2 F · Ar Quinolin-3-yl | C19H13FN4O | 332.3 | 4.28 | 70.9 | 1 | 7.25 | tested | |
| AFN-003199 | A | R1 OH · R2 F · Ar 6-MeO-pyridin-3-yl | C16H13FN4O2 | 312.3 | 3.14 | 80.2 | 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