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-003400 | B | R1 Cl · R6 H · R7 F | C14H9ClFN3 | 273.7 | 4.17 | 37.8 | 0 | — | designed | |
| AFN-003401 | B | R1 Cl · R6 H · R7 O(CH2)2-morpholino | C20H21ClN4O2 | 384.9 | 3.74 | 59.5 | 0 | — | designed | |
| AFN-003402 | B | R1 Cl · R6 H · R7 Cl | C14H9Cl2N3 | 290.1 | 4.68 | 37.8 | 0 | — | designed | |
| AFN-003403 | B | R1 Cl · R6 H · R7 OH | C14H10ClN3O | 271.7 | 3.73 | 58.0 | 0 | — | designed | |
| AFN-003404 | B | R1 Cl · R6 OMe · R7 H | C15H12ClN3O | 285.7 | 4.04 | 47.0 | 0 | — | designed | |
| AFN-003405 | B | R1 Cl · R6 OMe · R7 OMe | C16H14ClN3O2 | 315.8 | 4.04 | 56.3 | 0 | — | designed | |
| AFN-003406 | B | R1 Cl · R6 OMe · R7 OEt | C17H16ClN3O2 | 329.8 | 4.43 | 56.3 | 0 | — | designed | |
| AFN-003407 | B | R1 Cl · R6 OMe · R7 OCH2CH2OMe | C18H18ClN3O3 | 359.8 | 4.06 | 65.5 | 0 | — | designed | |
| AFN-003408 | B | R1 Cl · R6 OMe · R7 F | C15H11ClFN3O | 303.7 | 4.17 | 47.0 | 0 | — | designed | |
| AFN-003409 | B | R1 Cl · R6 OMe · R7 O(CH2)2-morpholino | C21H23ClN4O3 | 414.9 | 3.75 | 68.7 | 0 | — | designed | |
| AFN-003410 | B | R1 Cl · R6 OMe · R7 Cl | C15H11Cl2N3O | 320.2 | 4.69 | 47.0 | 0 | — | designed | |
| AFN-003411 | B | R1 Cl · R6 OMe · R7 OH | C15H12ClN3O2 | 301.7 | 3.74 | 67.3 | 0 | — | designed | |
| AFN-003412 | B | R1 Cl · R6 OEt · R7 H | C16H14ClN3O | 299.8 | 4.43 | 47.0 | 0 | — | designed | |
| AFN-003413 | B | R1 Cl · R6 OEt · R7 OMe | C17H16ClN3O2 | 329.8 | 4.43 | 56.3 | 0 | — | designed | |
| AFN-003414 | B | R1 Cl · R6 OEt · R7 OEt | C18H18ClN3O2 | 343.8 | 4.82 | 56.3 | 1 | 6.93 | tested | |
| AFN-003415 | B | R1 Cl · R6 OEt · R7 OCH2CH2OMe | C19H20ClN3O3 | 373.8 | 4.45 | 65.5 | 1 | 6.73 | tested | |
| AFN-003416 | B | R1 Cl · R6 OEt · R7 F | C16H13ClFN3O | 317.8 | 4.56 | 47.0 | 1 | 6.62 | tested | |
| AFN-003417 | B | R1 Cl · R6 OEt · R7 O(CH2)2-morpholino | C22H25ClN4O3 | 428.9 | 4.14 | 68.7 | 0 | — | designed | |
| AFN-003418 | B | R1 Cl · R6 OEt · R7 Cl | C16H13Cl2N3O | 334.2 | 5.08 | 47.0 | 0 | — | designed | |
| AFN-003419 | B | R1 Cl · R6 OEt · R7 OH | C16H14ClN3O2 | 315.8 | 4.13 | 67.3 | 0 | — | designed | |
| AFN-003420 | B | R1 Cl · R6 OCH2CH2OMe · R7 H | C17H16ClN3O2 | 329.8 | 4.05 | 56.3 | 0 | — | designed | |
| AFN-003421 | B | R1 Cl · R6 OCH2CH2OMe · R7 OMe | C18H18ClN3O3 | 359.8 | 4.06 | 65.5 | 0 | — | designed | |
| AFN-003422 | B | R1 Cl · R6 OCH2CH2OMe · R7 OEt | C19H20ClN3O3 | 373.8 | 4.45 | 65.5 | 1 | 6.72 | tested | |
| AFN-003423 | B | R1 Cl · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C20H22ClN3O4 | 403.9 | 4.08 | 74.7 | 0 | — | designed | |
| AFN-003424 | B | R1 Cl · R6 OCH2CH2OMe · R7 F | C17H15ClFN3O2 | 347.8 | 4.19 | 56.3 | 0 | — | designed | |
| AFN-003425 | B | R1 Cl · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C23H27ClN4O4 | 458.9 | 3.76 | 78.0 | 0 | — | designed | |
| AFN-003426 | B | R1 Cl · R6 OCH2CH2OMe · R7 Cl | C17H15Cl2N3O2 | 364.2 | 4.71 | 56.3 | 1 | 6.91 | tested | |
| AFN-003427 | B | R1 Cl · R6 OCH2CH2OMe · R7 OH | C17H16ClN3O3 | 345.8 | 3.76 | 76.5 | 1 | 6.66 | tested | |
| AFN-003428 | B | R1 Cl · R6 O(CH2)3-morpholino · R7 H | C21H23ClN4O2 | 398.9 | 4.13 | 59.5 | 0 | — | designed | |
| AFN-003429 | B | R1 Cl · R6 O(CH2)3-morpholino · R7 OMe | C22H25ClN4O3 | 428.9 | 4.14 | 68.7 | 0 | — | designed | |
| AFN-003430 | B | R1 Cl · R6 O(CH2)3-morpholino · R7 OEt | C23H27ClN4O3 | 442.9 | 4.53 | 68.7 | 0 | — | designed | |
| AFN-003431 | B | R1 Cl · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C24H29ClN4O4 | 473.0 | 4.15 | 78.0 | 1 | 6.79 | tested | |
| AFN-003432 | B | R1 Cl · R6 O(CH2)3-morpholino · R7 F | C21H22ClFN4O2 | 416.9 | 4.27 | 59.5 | 0 | — | designed | |
| AFN-003433 | B | R1 Cl · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C27H34ClN5O4 | 528.0 | 3.84 | 81.2 | 1 | 7.02 | tested | |
| AFN-003434 | B | R1 Cl · R6 O(CH2)3-morpholino · R7 Cl | C21H22Cl2N4O2 | 433.3 | 4.78 | 59.5 | 0 | — | designed | |
| AFN-003435 | B | R1 Cl · R6 O(CH2)3-morpholino · R7 OH | C21H23ClN4O3 | 414.9 | 3.83 | 79.7 | 0 | — | designed | |
| AFN-003436 | B | R1 Cl · R6 acrylamido · R7 H | C17H13ClN4O | 324.8 | 4.15 | 66.9 | 0 | — | designed | |
| AFN-003437 | B | R1 Cl · R6 acrylamido · R7 OMe | C18H15ClN4O2 | 354.8 | 4.16 | 76.1 | 0 | — | designed | |
| AFN-003438 | B | R1 Cl · R6 acrylamido · R7 OEt | C19H17ClN4O2 | 368.8 | 4.55 | 76.1 | 1 | — | tested | |
| AFN-003439 | B | R1 Cl · R6 acrylamido · R7 OCH2CH2OMe | C20H19ClN4O3 | 398.9 | 4.18 | 85.4 | 0 | — | designed | |
| AFN-003440 | B | R1 Cl · R6 acrylamido · R7 F | C17H12ClFN4O | 342.8 | 4.29 | 66.9 | 0 | — | designed | |
| AFN-003441 | B | R1 Cl · R6 acrylamido · R7 O(CH2)2-morpholino | C23H24ClN5O3 | 453.9 | 3.86 | 88.6 | 0 | — | designed | |
| AFN-003442 | B | R1 Cl · R6 acrylamido · R7 Cl | C17H12Cl2N4O | 359.2 | 4.80 | 66.9 | 0 | — | designed | |
| AFN-003443 | B | R1 Cl · R6 acrylamido · R7 OH | C17H13ClN4O2 | 340.8 | 3.86 | 87.1 | 0 | — | designed | |
| AFN-003444 | B | R1 Br · R6 H · R7 H | C14H10BrN3 | 300.2 | 4.14 | 37.8 | 0 | — | designed | |
| AFN-003445 | B | R1 Br · R6 H · R7 OMe | C15H12BrN3O | 330.2 | 4.14 | 47.0 | 0 | — | designed | |
| AFN-003446 | B | R1 Br · R6 H · R7 OEt | C16H14BrN3O | 344.2 | 4.53 | 47.0 | 0 | — | designed | |
| AFN-003447 | B | R1 Br · R6 H · R7 OCH2CH2OMe | C17H16BrN3O2 | 374.2 | 4.16 | 56.3 | 0 | — | designed | |
| AFN-003448 | B | R1 Br · R6 H · R7 F | C14H9BrFN3 | 318.1 | 4.28 | 37.8 | 0 | — | designed | |
| AFN-003449 | B | R1 Br · R6 H · R7 O(CH2)2-morpholino | C20H21BrN4O2 | 429.3 | 3.85 | 59.5 | 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