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-004000 | B | R1 4-Me-piperazin-1-yl · R6 OCH2CH2OMe · R7 F | C22H26FN5O2 | 411.5 | 3.29 | 62.8 | 0 | — | designed | |
| AFN-004001 | B | R1 4-Me-piperazin-1-yl · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C28H38N6O4 | 522.6 | 2.86 | 84.5 | 1 | 7.13 | tested | |
| AFN-004002 | B | R1 4-Me-piperazin-1-yl · R6 OCH2CH2OMe · R7 Cl | C22H26ClN5O2 | 427.9 | 3.80 | 62.8 | 0 | — | designed | |
| AFN-004003 | B | R1 4-Me-piperazin-1-yl · R6 OCH2CH2OMe · R7 OH | C22H27N5O3 | 409.5 | 2.86 | 83.0 | 0 | — | designed | |
| AFN-004004 | B | R1 4-Me-piperazin-1-yl · R6 O(CH2)3-morpholino · R7 H | C26H34N6O2 | 462.6 | 3.23 | 66.0 | 0 | — | designed | |
| AFN-004005 | B | R1 4-Me-piperazin-1-yl · R6 O(CH2)3-morpholino · R7 OMe | C27H36N6O3 | 492.6 | 3.23 | 75.2 | 1 | 7.21 | tested | |
| AFN-004006 | B | R1 4-Me-piperazin-1-yl · R6 O(CH2)3-morpholino · R7 OEt | C28H38N6O3 | 506.6 | 3.63 | 75.2 | 0 | — | designed | |
| AFN-004007 | B | R1 4-Me-piperazin-1-yl · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C29H40N6O4 | 536.7 | 3.25 | 84.5 | 0 | — | designed | |
| AFN-004008 | B | R1 4-Me-piperazin-1-yl · R6 O(CH2)3-morpholino · R7 F | C26H33FN6O2 | 480.6 | 3.37 | 66.0 | 0 | — | designed | |
| AFN-004009 | B | R1 4-Me-piperazin-1-yl · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C32H45N7O4 | 591.8 | 2.94 | 87.7 | 0 | — | designed | |
| AFN-004010 | B | R1 4-Me-piperazin-1-yl · R6 O(CH2)3-morpholino · R7 Cl | C26H33ClN6O2 | 497.0 | 3.88 | 66.0 | 0 | — | designed | |
| AFN-004011 | B | R1 4-Me-piperazin-1-yl · R6 O(CH2)3-morpholino · R7 OH | C26H34N6O3 | 478.6 | 2.93 | 86.2 | 0 | — | designed | |
| AFN-004012 | B | R1 4-Me-piperazin-1-yl · R6 acrylamido · R7 H | C22H24N6O | 388.5 | 3.25 | 73.4 | 1 | 7.66 | tested | |
| AFN-004013 | B | R1 4-Me-piperazin-1-yl · R6 acrylamido · R7 OMe | C23H26N6O2 | 418.5 | 3.26 | 82.6 | 0 | — | designed | |
| AFN-004014 | B | R1 4-Me-piperazin-1-yl · R6 acrylamido · R7 OEt | C24H28N6O2 | 432.5 | 3.65 | 82.6 | 0 | — | designed | |
| AFN-004015 | B | R1 4-Me-piperazin-1-yl · R6 acrylamido · R7 OCH2CH2OMe | C25H30N6O3 | 462.6 | 3.27 | 91.9 | 1 | 7.75 | tested | |
| AFN-004016 | B | R1 4-Me-piperazin-1-yl · R6 acrylamido · R7 F | C22H23FN6O | 406.5 | 3.39 | 73.4 | 0 | — | designed | |
| AFN-004017 | B | R1 4-Me-piperazin-1-yl · R6 acrylamido · R7 O(CH2)2-morpholino | C28H35N7O3 | 517.6 | 2.96 | 95.1 | 0 | — | designed | |
| AFN-004018 | B | R1 4-Me-piperazin-1-yl · R6 acrylamido · R7 Cl | C22H23ClN6O | 422.9 | 3.90 | 73.4 | 1 | 7.98 | tested | |
| AFN-004019 | B | R1 4-Me-piperazin-1-yl · R6 acrylamido · R7 OH | C22H24N6O2 | 404.5 | 2.96 | 93.6 | 0 | — | designed | |
| AFN-004020 | B | R1 SO2Me · R6 H · R7 H | C15H13N3O2S | 299.4 | 2.78 | 72.0 | 0 | — | designed | |
| AFN-004021 | B | R1 SO2Me · R6 H · R7 OMe | C16H15N3O3S | 329.4 | 2.79 | 81.2 | 0 | — | designed | |
| AFN-004022 | B | R1 SO2Me · R6 H · R7 OEt | C17H17N3O3S | 343.4 | 3.18 | 81.2 | 0 | — | designed | |
| AFN-004023 | B | R1 SO2Me · R6 H · R7 OCH2CH2OMe | C18H19N3O4S | 373.4 | 2.80 | 90.4 | 0 | — | designed | |
| AFN-004024 | B | R1 SO2Me · R6 H · R7 F | C15H12FN3O2S | 317.4 | 2.92 | 72.0 | 0 | — | designed | |
| AFN-004025 | B | R1 SO2Me · R6 H · R7 O(CH2)2-morpholino | C21H24N4O4S | 428.5 | 2.49 | 93.7 | 0 | — | designed | |
| AFN-004026 | B | R1 SO2Me · R6 H · R7 Cl | C15H12ClN3O2S | 333.8 | 3.43 | 72.0 | 0 | — | designed | |
| AFN-004027 | B | R1 SO2Me · R6 H · R7 OH | C15H13N3O3S | 315.4 | 2.48 | 92.2 | 1 | 5.73 | tested | |
| AFN-004028 | B | R1 SO2Me · R6 OMe · R7 H | C16H15N3O3S | 329.4 | 2.79 | 81.2 | 0 | — | designed | |
| AFN-004029 | B | R1 SO2Me · R6 OMe · R7 OMe | C17H17N3O4S | 359.4 | 2.79 | 90.4 | 1 | 6.51 | tested | |
| AFN-004030 | B | R1 SO2Me · R6 OMe · R7 OEt | C18H19N3O4S | 373.4 | 3.18 | 90.4 | 0 | — | designed | |
| AFN-004031 | B | R1 SO2Me · R6 OMe · R7 OCH2CH2OMe | C19H21N3O5S | 403.5 | 2.81 | 99.6 | 0 | — | designed | |
| AFN-004032 | B | R1 SO2Me · R6 OMe · R7 F | C16H14FN3O3S | 347.4 | 2.92 | 81.2 | 0 | — | designed | |
| AFN-004033 | B | R1 SO2Me · R6 OMe · R7 O(CH2)2-morpholino | C22H26N4O5S | 458.5 | 2.50 | 102.9 | 0 | — | designed | |
| AFN-004034 | B | R1 SO2Me · R6 OMe · R7 Cl | C16H14ClN3O3S | 363.8 | 3.44 | 81.2 | 0 | — | designed | |
| AFN-004035 | B | R1 SO2Me · R6 OMe · R7 OH | C16H15N3O4S | 345.4 | 2.49 | 101.4 | 0 | — | designed | |
| AFN-004036 | B | R1 SO2Me · R6 OEt · R7 H | C17H17N3O3S | 343.4 | 3.18 | 81.2 | 1 | 6.48 | tested | |
| AFN-004037 | B | R1 SO2Me · R6 OEt · R7 OMe | C18H19N3O4S | 373.4 | 3.18 | 90.4 | 0 | — | designed | |
| AFN-004038 | B | R1 SO2Me · R6 OEt · R7 OEt | C19H21N3O4S | 387.5 | 3.57 | 90.4 | 0 | — | designed | |
| AFN-004039 | B | R1 SO2Me · R6 OEt · R7 OCH2CH2OMe | C20H23N3O5S | 417.5 | 3.20 | 99.6 | 0 | — | designed | |
| AFN-004040 | B | R1 SO2Me · R6 OEt · R7 F | C17H16FN3O3S | 361.4 | 3.31 | 81.2 | 0 | — | designed | |
| AFN-004041 | B | R1 SO2Me · R6 OEt · R7 O(CH2)2-morpholino | C23H28N4O5S | 472.6 | 2.89 | 102.9 | 0 | — | designed | |
| AFN-004042 | B | R1 SO2Me · R6 OEt · R7 Cl | C17H16ClN3O3S | 377.9 | 3.83 | 81.2 | 0 | — | designed | |
| AFN-004043 | B | R1 SO2Me · R6 OEt · R7 OH | C17H17N3O4S | 359.4 | 2.88 | 101.4 | 0 | — | designed | |
| AFN-004044 | B | R1 SO2Me · R6 OCH2CH2OMe · R7 H | C18H19N3O4S | 373.4 | 2.80 | 90.4 | 1 | 6.49 | tested | |
| AFN-004045 | B | R1 SO2Me · R6 OCH2CH2OMe · R7 OMe | C19H21N3O5S | 403.5 | 2.81 | 99.6 | 0 | — | designed | |
| AFN-004046 | B | R1 SO2Me · R6 OCH2CH2OMe · R7 OEt | C20H23N3O5S | 417.5 | 3.20 | 99.6 | 0 | — | designed | |
| AFN-004047 | B | R1 SO2Me · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C21H25N3O6S | 447.5 | 2.83 | 108.9 | 0 | — | designed | |
| AFN-004048 | B | R1 SO2Me · R6 OCH2CH2OMe · R7 F | C18H18FN3O4S | 391.4 | 2.94 | 90.4 | 0 | — | designed | |
| AFN-004049 | B | R1 SO2Me · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C24H30N4O6S | 502.6 | 2.51 | 112.1 | 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