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-004100 | B | R1 CONH2 · R6 O(CH2)3-morpholino · R7 H | C22H25N5O3 | 407.5 | 2.57 | 102.6 | 1 | 6.39 | tested | |
| AFN-004101 | B | R1 CONH2 · R6 O(CH2)3-morpholino · R7 OMe | C23H27N5O4 | 437.5 | 2.58 | 111.8 | 0 | — | designed | |
| AFN-004102 | B | R1 CONH2 · R6 O(CH2)3-morpholino · R7 OEt | C24H29N5O4 | 451.5 | 2.97 | 111.8 | 0 | — | designed | |
| AFN-004103 | B | R1 CONH2 · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C25H31N5O5 | 481.6 | 2.60 | 121.1 | 0 | — | designed | |
| AFN-004104 | B | R1 CONH2 · R6 O(CH2)3-morpholino · R7 F | C22H24FN5O3 | 425.5 | 2.71 | 102.6 | 0 | — | designed | |
| AFN-004105 | B | R1 CONH2 · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C28H36N6O5 | 536.6 | 2.28 | 124.3 | 1 | 6.50 | tested | |
| AFN-004106 | B | R1 CONH2 · R6 O(CH2)3-morpholino · R7 Cl | C22H24ClN5O3 | 441.9 | 3.23 | 102.6 | 0 | — | designed | |
| AFN-004107 | B | R1 CONH2 · R6 O(CH2)3-morpholino · R7 OH | C22H25N5O4 | 423.5 | 2.28 | 122.8 | 1 | 6.18 | tested | |
| AFN-004108 | B | R1 CONH2 · R6 acrylamido · R7 H | C18H15N5O2 | 333.4 | 2.60 | 110.0 | 0 | — | designed | |
| AFN-004109 | B | R1 CONH2 · R6 acrylamido · R7 OMe | C19H17N5O3 | 363.4 | 2.61 | 119.2 | 0 | — | designed | |
| AFN-004110 | B | R1 CONH2 · R6 acrylamido · R7 OEt | C20H19N5O3 | 377.4 | 3.00 | 119.2 | 0 | — | designed | |
| AFN-004111 | B | R1 CONH2 · R6 acrylamido · R7 OCH2CH2OMe | C21H21N5O4 | 407.4 | 2.62 | 128.5 | 0 | — | designed | |
| AFN-004112 | B | R1 CONH2 · R6 acrylamido · R7 F | C18H14FN5O2 | 351.3 | 2.74 | 110.0 | 0 | — | designed | |
| AFN-004113 | B | R1 CONH2 · R6 acrylamido · R7 O(CH2)2-morpholino | C24H26N6O4 | 462.5 | 2.31 | 131.7 | 0 | — | designed | |
| AFN-004114 | B | R1 CONH2 · R6 acrylamido · R7 Cl | C18H14ClN5O2 | 367.8 | 3.25 | 110.0 | 0 | — | designed | |
| AFN-004115 | B | R1 CONH2 · R6 acrylamido · R7 OH | C18H15N5O3 | 349.4 | 2.30 | 130.2 | 0 | — | designed | |
| AFN-004116 | B | R1 ethynyl · R6 H · R7 H | C16H11N3 | 245.3 | 3.35 | 37.8 | 0 | — | designed | |
| AFN-004117 | B | R1 ethynyl · R6 H · R7 OMe | C17H13N3O | 275.3 | 3.36 | 47.0 | 0 | — | designed | |
| AFN-004118 | B | R1 ethynyl · R6 H · R7 OEt | C18H15N3O | 289.3 | 3.75 | 47.0 | 0 | — | designed | |
| AFN-004119 | B | R1 ethynyl · R6 H · R7 OCH2CH2OMe | C19H17N3O2 | 319.4 | 3.38 | 56.3 | 0 | — | designed | |
| AFN-004120 | B | R1 ethynyl · R6 H · R7 F | C16H10FN3 | 263.3 | 3.49 | 37.8 | 0 | — | designed | |
| AFN-004121 | B | R1 ethynyl · R6 H · R7 O(CH2)2-morpholino | C22H22N4O2 | 374.4 | 3.07 | 59.5 | 0 | — | designed | |
| AFN-004122 | B | R1 ethynyl · R6 H · R7 Cl | C16H10ClN3 | 279.7 | 4.01 | 37.8 | 0 | — | designed | |
| AFN-004123 | B | R1 ethynyl · R6 H · R7 OH | C16H11N3O | 261.3 | 3.06 | 58.0 | 0 | — | designed | |
| AFN-004124 | B | R1 ethynyl · R6 OMe · R7 H | C17H13N3O | 275.3 | 3.36 | 47.0 | 1 | 6.47 | tested | |
| AFN-004125 | B | R1 ethynyl · R6 OMe · R7 OMe | C18H15N3O2 | 305.3 | 3.37 | 56.3 | 0 | — | designed | |
| AFN-004126 | B | R1 ethynyl · R6 OMe · R7 OEt | C19H17N3O2 | 319.4 | 3.76 | 56.3 | 0 | — | designed | |
| AFN-004127 | B | R1 ethynyl · R6 OMe · R7 OCH2CH2OMe | C20H19N3O3 | 349.4 | 3.39 | 65.5 | 0 | — | designed | |
| AFN-004128 | B | R1 ethynyl · R6 OMe · R7 F | C17H12FN3O | 293.3 | 3.50 | 47.0 | 0 | — | designed | |
| AFN-004129 | B | R1 ethynyl · R6 OMe · R7 O(CH2)2-morpholino | C23H24N4O3 | 404.5 | 3.07 | 68.7 | 0 | — | designed | |
| AFN-004130 | B | R1 ethynyl · R6 OMe · R7 Cl | C17H12ClN3O | 309.8 | 4.02 | 47.0 | 0 | — | designed | |
| AFN-004131 | B | R1 ethynyl · R6 OMe · R7 OH | C17H13N3O2 | 291.3 | 3.07 | 67.3 | 0 | — | designed | |
| AFN-004132 | B | R1 ethynyl · R6 OEt · R7 H | C18H15N3O | 289.3 | 3.75 | 47.0 | 0 | — | designed | |
| AFN-004133 | B | R1 ethynyl · R6 OEt · R7 OMe | C19H17N3O2 | 319.4 | 3.76 | 56.3 | 0 | — | designed | |
| AFN-004134 | B | R1 ethynyl · R6 OEt · R7 OEt | C20H19N3O2 | 333.4 | 4.15 | 56.3 | 0 | — | designed | |
| AFN-004135 | B | R1 ethynyl · R6 OEt · R7 OCH2CH2OMe | C21H21N3O3 | 363.4 | 3.78 | 65.5 | 0 | — | designed | |
| AFN-004136 | B | R1 ethynyl · R6 OEt · R7 F | C18H14FN3O | 307.3 | 3.89 | 47.0 | 0 | — | designed | |
| AFN-004137 | B | R1 ethynyl · R6 OEt · R7 O(CH2)2-morpholino | C24H26N4O3 | 418.5 | 3.46 | 68.7 | 0 | — | designed | |
| AFN-004138 | B | R1 ethynyl · R6 OEt · R7 Cl | C18H14ClN3O | 323.8 | 4.41 | 47.0 | 0 | — | designed | |
| AFN-004139 | B | R1 ethynyl · R6 OEt · R7 OH | C18H15N3O2 | 305.3 | 3.46 | 67.3 | 0 | — | designed | |
| AFN-004140 | B | R1 ethynyl · R6 OCH2CH2OMe · R7 H | C19H17N3O2 | 319.4 | 3.38 | 56.3 | 0 | — | designed | |
| AFN-004141 | B | R1 ethynyl · R6 OCH2CH2OMe · R7 OMe | C20H19N3O3 | 349.4 | 3.39 | 65.5 | 0 | — | designed | |
| AFN-004142 | B | R1 ethynyl · R6 OCH2CH2OMe · R7 OEt | C21H21N3O3 | 363.4 | 3.78 | 65.5 | 0 | — | designed | |
| AFN-004143 | B | R1 ethynyl · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C22H23N3O4 | 393.4 | 3.41 | 74.7 | 1 | 7.02 | tested | |
| AFN-004144 | B | R1 ethynyl · R6 OCH2CH2OMe · R7 F | C19H16FN3O2 | 337.4 | 3.52 | 56.3 | 0 | — | designed | |
| AFN-004145 | B | R1 ethynyl · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C25H28N4O4 | 448.5 | 3.09 | 78.0 | 0 | — | designed | |
| AFN-004146 | B | R1 ethynyl · R6 OCH2CH2OMe · R7 Cl | C19H16ClN3O2 | 353.8 | 4.03 | 56.3 | 0 | — | designed | |
| AFN-004147 | B | R1 ethynyl · R6 OCH2CH2OMe · R7 OH | C19H17N3O3 | 335.4 | 3.09 | 76.5 | 1 | 6.36 | tested | |
| AFN-004148 | B | R1 ethynyl · R6 O(CH2)3-morpholino · R7 H | C23H24N4O2 | 388.5 | 3.46 | 59.5 | 0 | — | designed | |
| AFN-004149 | B | R1 ethynyl · R6 O(CH2)3-morpholino · R7 OMe | C24H26N4O3 | 418.5 | 3.46 | 68.7 | 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