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-004200 | B | R1 cyclopropyl · R6 O(CH2)3-morpholino · R7 F | C24H27FN4O2 | 422.5 | 4.49 | 59.5 | 0 | — | designed | |
| AFN-004201 | B | R1 cyclopropyl · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C30H39N5O4 | 533.7 | 4.06 | 81.2 | 1 | 6.66 | tested | |
| AFN-004202 | B | R1 cyclopropyl · R6 O(CH2)3-morpholino · R7 Cl | C24H27ClN4O2 | 439.0 | 5.01 | 59.5 | 0 | — | designed | |
| AFN-004203 | B | R1 cyclopropyl · R6 O(CH2)3-morpholino · R7 OH | C24H28N4O3 | 420.5 | 4.06 | 79.7 | 0 | — | designed | |
| AFN-004204 | B | R1 cyclopropyl · R6 acrylamido · R7 H | C20H18N4O | 330.4 | 4.38 | 66.9 | 0 | — | designed | |
| AFN-004205 | B | R1 cyclopropyl · R6 acrylamido · R7 OMe | C21H20N4O2 | 360.4 | 4.38 | 76.1 | 0 | — | designed | |
| AFN-004206 | B | R1 cyclopropyl · R6 acrylamido · R7 OEt | C22H22N4O2 | 374.4 | 4.77 | 76.1 | 0 | — | designed | |
| AFN-004207 | B | R1 cyclopropyl · R6 acrylamido · R7 OCH2CH2OMe | C23H24N4O3 | 404.5 | 4.40 | 85.4 | 0 | — | designed | |
| AFN-004208 | B | R1 cyclopropyl · R6 acrylamido · R7 F | C20H17FN4O | 348.4 | 4.51 | 66.9 | 0 | — | designed | |
| AFN-004209 | B | R1 cyclopropyl · R6 acrylamido · R7 O(CH2)2-morpholino | C26H29N5O3 | 459.6 | 4.09 | 88.6 | 0 | — | designed | |
| AFN-004210 | B | R1 cyclopropyl · R6 acrylamido · R7 Cl | C20H17ClN4O | 364.8 | 5.03 | 66.9 | 0 | — | designed | |
| AFN-004211 | B | R1 cyclopropyl · R6 acrylamido · R7 OH | C20H18N4O2 | 346.4 | 4.08 | 87.1 | 0 | — | designed | |
| AFN-004212 | B | R1 OH · R6 H · R7 H | C14H11N3O | 237.3 | 3.08 | 58.0 | 0 | — | designed | |
| AFN-004213 | B | R1 OH · R6 H · R7 OMe | C15H13N3O2 | 267.3 | 3.09 | 67.3 | 0 | — | designed | |
| AFN-004214 | B | R1 OH · R6 H · R7 OEt | C16H15N3O2 | 281.3 | 3.48 | 67.3 | 1 | 5.78 | tested | |
| AFN-004215 | B | R1 OH · R6 H · R7 OCH2CH2OMe | C17H17N3O3 | 311.3 | 3.10 | 76.5 | 0 | — | designed | |
| AFN-004216 | B | R1 OH · R6 H · R7 F | C14H10FN3O | 255.3 | 3.22 | 58.0 | 1 | 5.87 | tested | |
| AFN-004217 | B | R1 OH · R6 H · R7 O(CH2)2-morpholino | C20H22N4O3 | 366.4 | 2.79 | 79.7 | 0 | — | designed | |
| AFN-004218 | B | R1 OH · R6 H · R7 Cl | C14H10ClN3O | 271.7 | 3.73 | 58.0 | 0 | — | designed | |
| AFN-004219 | B | R1 OH · R6 H · R7 OH | C14H11N3O2 | 253.3 | 2.78 | 78.3 | 0 | — | designed | |
| AFN-004220 | B | R1 OH · R6 OMe · R7 H | C15H13N3O2 | 267.3 | 3.09 | 67.3 | 0 | — | designed | |
| AFN-004221 | B | R1 OH · R6 OMe · R7 OMe | C16H15N3O3 | 297.3 | 3.10 | 76.5 | 0 | — | designed | |
| AFN-004222 | B | R1 OH · R6 OMe · R7 OEt | C17H17N3O3 | 311.3 | 3.49 | 76.5 | 0 | — | designed | |
| AFN-004223 | B | R1 OH · R6 OMe · R7 OCH2CH2OMe | C18H19N3O4 | 341.4 | 3.11 | 85.7 | 0 | — | designed | |
| AFN-004224 | B | R1 OH · R6 OMe · R7 F | C15H12FN3O2 | 285.3 | 3.23 | 67.3 | 0 | — | designed | |
| AFN-004225 | B | R1 OH · R6 OMe · R7 O(CH2)2-morpholino | C21H24N4O4 | 396.4 | 2.80 | 89.0 | 0 | — | designed | |
| AFN-004226 | B | R1 OH · R6 OMe · R7 Cl | C15H12ClN3O2 | 301.7 | 3.74 | 67.3 | 0 | — | designed | |
| AFN-004227 | B | R1 OH · R6 OMe · R7 OH | C15H13N3O3 | 283.3 | 2.79 | 87.5 | 0 | — | designed | |
| AFN-004228 | B | R1 OH · R6 OEt · R7 H | C16H15N3O2 | 281.3 | 3.48 | 67.3 | 1 | 6.02 | tested | |
| AFN-004229 | B | R1 OH · R6 OEt · R7 OMe | C17H17N3O3 | 311.3 | 3.49 | 76.5 | 0 | — | designed | |
| AFN-004230 | B | R1 OH · R6 OEt · R7 OEt | C18H19N3O3 | 325.4 | 3.88 | 76.5 | 0 | — | designed | |
| AFN-004231 | B | R1 OH · R6 OEt · R7 OCH2CH2OMe | C19H21N3O4 | 355.4 | 3.50 | 85.7 | 0 | — | designed | |
| AFN-004232 | B | R1 OH · R6 OEt · R7 F | C16H14FN3O2 | 299.3 | 3.62 | 67.3 | 0 | — | designed | |
| AFN-004233 | B | R1 OH · R6 OEt · R7 O(CH2)2-morpholino | C22H26N4O4 | 410.5 | 3.19 | 89.0 | 0 | — | designed | |
| AFN-004234 | B | R1 OH · R6 OEt · R7 Cl | C16H14ClN3O2 | 315.8 | 4.13 | 67.3 | 0 | — | designed | |
| AFN-004235 | B | R1 OH · R6 OEt · R7 OH | C16H15N3O3 | 297.3 | 3.18 | 87.5 | 0 | — | designed | |
| AFN-004236 | B | R1 OH · R6 OCH2CH2OMe · R7 H | C17H17N3O3 | 311.3 | 3.10 | 76.5 | 0 | — | designed | |
| AFN-004237 | B | R1 OH · R6 OCH2CH2OMe · R7 OMe | C18H19N3O4 | 341.4 | 3.11 | 85.7 | 0 | — | designed | |
| AFN-004238 | B | R1 OH · R6 OCH2CH2OMe · R7 OEt | C19H21N3O4 | 355.4 | 3.50 | 85.7 | 0 | — | designed | |
| AFN-004239 | B | R1 OH · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C20H23N3O5 | 385.4 | 3.13 | 95.0 | 0 | — | designed | |
| AFN-004240 | B | R1 OH · R6 OCH2CH2OMe · R7 F | C17H16FN3O3 | 329.3 | 3.24 | 76.5 | 1 | 6.39 | tested | |
| AFN-004241 | B | R1 OH · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C23H28N4O5 | 440.5 | 2.82 | 98.2 | 0 | — | designed | |
| AFN-004242 | B | R1 OH · R6 OCH2CH2OMe · R7 Cl | C17H16ClN3O3 | 345.8 | 3.76 | 76.5 | 0 | — | designed | |
| AFN-004243 | B | R1 OH · R6 OCH2CH2OMe · R7 OH | C17H17N3O4 | 327.3 | 2.81 | 96.7 | 0 | — | designed | |
| AFN-004244 | B | R1 OH · R6 O(CH2)3-morpholino · R7 H | C21H24N4O3 | 380.4 | 3.18 | 79.7 | 0 | — | designed | |
| AFN-004245 | B | R1 OH · R6 O(CH2)3-morpholino · R7 OMe | C22H26N4O4 | 410.5 | 3.19 | 89.0 | 0 | — | designed | |
| AFN-004246 | B | R1 OH · R6 O(CH2)3-morpholino · R7 OEt | C23H28N4O4 | 424.5 | 3.58 | 89.0 | 0 | — | designed | |
| AFN-004247 | B | R1 OH · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C24H30N4O5 | 454.5 | 3.21 | 98.2 | 0 | — | designed | |
| AFN-004248 | B | R1 OH · R6 O(CH2)3-morpholino · R7 F | C21H23FN4O3 | 398.4 | 3.32 | 79.7 | 0 | — | designed | |
| AFN-004249 | B | R1 OH · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C27H35N5O5 | 509.6 | 2.89 | 101.4 | 1 | 6.67 | tested |
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