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-004150 | B | R1 ethynyl · R6 O(CH2)3-morpholino · R7 OEt | C25H28N4O3 | 432.5 | 3.85 | 68.7 | 0 | — | designed | |
| AFN-004151 | B | R1 ethynyl · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C26H30N4O4 | 462.6 | 3.48 | 78.0 | 0 | — | designed | |
| AFN-004152 | B | R1 ethynyl · R6 O(CH2)3-morpholino · R7 F | C23H23FN4O2 | 406.5 | 3.59 | 59.5 | 1 | 6.93 | tested | |
| AFN-004153 | B | R1 ethynyl · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C29H35N5O4 | 517.6 | 3.17 | 81.2 | 1 | 7.07 | tested | |
| AFN-004154 | B | R1 ethynyl · R6 O(CH2)3-morpholino · R7 Cl | C23H23ClN4O2 | 422.9 | 4.11 | 59.5 | 0 | — | designed | |
| AFN-004155 | B | R1 ethynyl · R6 O(CH2)3-morpholino · R7 OH | C23H24N4O3 | 404.5 | 3.16 | 79.7 | 0 | — | designed | |
| AFN-004156 | B | R1 ethynyl · R6 acrylamido · R7 H | C19H14N4O | 314.4 | 3.48 | 66.9 | 0 | — | designed | |
| AFN-004157 | B | R1 ethynyl · R6 acrylamido · R7 OMe | C20H16N4O2 | 344.4 | 3.49 | 76.1 | 0 | — | designed | |
| AFN-004158 | B | R1 ethynyl · R6 acrylamido · R7 OEt | C21H18N4O2 | 358.4 | 3.88 | 76.1 | 0 | — | designed | |
| AFN-004159 | B | R1 ethynyl · R6 acrylamido · R7 OCH2CH2OMe | C22H20N4O3 | 388.4 | 3.50 | 85.4 | 0 | — | designed | |
| AFN-004160 | B | R1 ethynyl · R6 acrylamido · R7 F | C19H13FN4O | 332.3 | 3.62 | 66.9 | 0 | — | designed | |
| AFN-004161 | B | R1 ethynyl · R6 acrylamido · R7 O(CH2)2-morpholino | C25H25N5O3 | 443.5 | 3.19 | 88.6 | 0 | — | designed | |
| AFN-004162 | B | R1 ethynyl · R6 acrylamido · R7 Cl | C19H13ClN4O | 348.8 | 4.13 | 66.9 | 0 | — | designed | |
| AFN-004163 | B | R1 ethynyl · R6 acrylamido · R7 OH | C19H14N4O2 | 330.4 | 3.18 | 87.1 | 0 | — | designed | |
| AFN-004164 | B | R1 cyclopropyl · R6 H · R7 H | C17H15N3 | 261.3 | 4.25 | 37.8 | 0 | — | designed | |
| AFN-004165 | B | R1 cyclopropyl · R6 H · R7 OMe | C18H17N3O | 291.4 | 4.26 | 47.0 | 0 | — | designed | |
| AFN-004166 | B | R1 cyclopropyl · R6 H · R7 OEt | C19H19N3O | 305.4 | 4.65 | 47.0 | 0 | — | designed | |
| AFN-004167 | B | R1 cyclopropyl · R6 H · R7 OCH2CH2OMe | C20H21N3O2 | 335.4 | 4.28 | 56.3 | 1 | 6.48 | tested | |
| AFN-004168 | B | R1 cyclopropyl · R6 H · R7 F | C17H14FN3 | 279.3 | 4.39 | 37.8 | 0 | — | designed | |
| AFN-004169 | B | R1 cyclopropyl · R6 H · R7 O(CH2)2-morpholino | C23H26N4O2 | 390.5 | 3.96 | 59.5 | 0 | — | designed | |
| AFN-004170 | B | R1 cyclopropyl · R6 H · R7 Cl | C17H14ClN3 | 295.8 | 4.90 | 37.8 | 0 | — | designed | |
| AFN-004171 | B | R1 cyclopropyl · R6 H · R7 OH | C17H15N3O | 277.3 | 3.96 | 58.0 | 0 | — | designed | |
| AFN-004172 | B | R1 cyclopropyl · R6 OMe · R7 H | C18H17N3O | 291.4 | 4.26 | 47.0 | 0 | — | designed | |
| AFN-004173 | B | R1 cyclopropyl · R6 OMe · R7 OMe | C19H19N3O2 | 321.4 | 4.27 | 56.3 | 0 | — | designed | |
| AFN-004174 | B | R1 cyclopropyl · R6 OMe · R7 OEt | C20H21N3O2 | 335.4 | 4.66 | 56.3 | 0 | — | designed | |
| AFN-004175 | B | R1 cyclopropyl · R6 OMe · R7 OCH2CH2OMe | C21H23N3O3 | 365.4 | 4.28 | 65.5 | 1 | 6.37 | tested | |
| AFN-004176 | B | R1 cyclopropyl · R6 OMe · R7 F | C18H16FN3O | 309.3 | 4.40 | 47.0 | 0 | — | designed | |
| AFN-004177 | B | R1 cyclopropyl · R6 OMe · R7 O(CH2)2-morpholino | C24H28N4O3 | 420.5 | 3.97 | 68.7 | 1 | 6.58 | tested | |
| AFN-004178 | B | R1 cyclopropyl · R6 OMe · R7 Cl | C18H16ClN3O | 325.8 | 4.91 | 47.0 | 0 | — | designed | |
| AFN-004179 | B | R1 cyclopropyl · R6 OMe · R7 OH | C18H17N3O2 | 307.4 | 3.97 | 67.3 | 0 | — | designed | |
| AFN-004180 | B | R1 cyclopropyl · R6 OEt · R7 H | C19H19N3O | 305.4 | 4.65 | 47.0 | 0 | — | designed | |
| AFN-004181 | B | R1 cyclopropyl · R6 OEt · R7 OMe | C20H21N3O2 | 335.4 | 4.66 | 56.3 | 0 | — | designed | |
| AFN-004182 | B | R1 cyclopropyl · R6 OEt · R7 OEt | C21H23N3O2 | 349.4 | 5.05 | 56.3 | 0 | — | designed | |
| AFN-004183 | B | R1 cyclopropyl · R6 OEt · R7 OCH2CH2OMe | C22H25N3O3 | 379.5 | 4.67 | 65.5 | 0 | — | designed | |
| AFN-004184 | B | R1 cyclopropyl · R6 OEt · R7 F | C19H18FN3O | 323.4 | 4.79 | 47.0 | 0 | — | designed | |
| AFN-004185 | B | R1 cyclopropyl · R6 OEt · R7 O(CH2)2-morpholino | C25H30N4O3 | 434.5 | 4.36 | 68.7 | 0 | — | designed | |
| AFN-004186 | B | R1 cyclopropyl · R6 OEt · R7 Cl | C19H18ClN3O | 339.8 | 5.30 | 47.0 | 1 | 6.32 | tested | |
| AFN-004187 | B | R1 cyclopropyl · R6 OEt · R7 OH | C19H19N3O2 | 321.4 | 4.36 | 67.3 | 0 | — | designed | |
| AFN-004188 | B | R1 cyclopropyl · R6 OCH2CH2OMe · R7 H | C20H21N3O2 | 335.4 | 4.28 | 56.3 | 0 | — | designed | |
| AFN-004189 | B | R1 cyclopropyl · R6 OCH2CH2OMe · R7 OMe | C21H23N3O3 | 365.4 | 4.28 | 65.5 | 0 | — | designed | |
| AFN-004190 | B | R1 cyclopropyl · R6 OCH2CH2OMe · R7 OEt | C22H25N3O3 | 379.5 | 4.67 | 65.5 | 0 | — | designed | |
| AFN-004191 | B | R1 cyclopropyl · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C23H27N3O4 | 409.5 | 4.30 | 74.7 | 0 | — | designed | |
| AFN-004192 | B | R1 cyclopropyl · R6 OCH2CH2OMe · R7 F | C20H20FN3O2 | 353.4 | 4.42 | 56.3 | 0 | — | designed | |
| AFN-004193 | B | R1 cyclopropyl · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C26H32N4O4 | 464.6 | 3.99 | 78.0 | 0 | — | designed | |
| AFN-004194 | B | R1 cyclopropyl · R6 OCH2CH2OMe · R7 Cl | C20H20ClN3O2 | 369.9 | 4.93 | 56.3 | 0 | — | designed | |
| AFN-004195 | B | R1 cyclopropyl · R6 OCH2CH2OMe · R7 OH | C20H21N3O3 | 351.4 | 3.98 | 76.5 | 0 | — | designed | |
| AFN-004196 | B | R1 cyclopropyl · R6 O(CH2)3-morpholino · R7 H | C24H28N4O2 | 404.5 | 4.35 | 59.5 | 0 | — | designed | |
| AFN-004197 | B | R1 cyclopropyl · R6 O(CH2)3-morpholino · R7 OMe | C25H30N4O3 | 434.5 | 4.36 | 68.7 | 0 | — | designed | |
| AFN-004198 | B | R1 cyclopropyl · R6 O(CH2)3-morpholino · R7 OEt | C26H32N4O3 | 448.6 | 4.75 | 68.7 | 0 | — | designed | |
| AFN-004199 | B | R1 cyclopropyl · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C27H34N4O4 | 478.6 | 4.38 | 78.0 | 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