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-003650 | B | R1 CF3 · R6 OMe · R7 Cl | C16H11ClF3N3O | 353.7 | 5.05 | 47.0 | 0 | — | designed | |
| AFN-003651 | B | R1 CF3 · R6 OMe · R7 OH | C16H12F3N3O2 | 335.3 | 4.11 | 67.3 | 0 | — | designed | |
| AFN-003652 | B | R1 CF3 · R6 OEt · R7 H | C17H14F3N3O | 333.3 | 4.79 | 47.0 | 0 | — | designed | |
| AFN-003653 | B | R1 CF3 · R6 OEt · R7 OMe | C18H16F3N3O2 | 363.3 | 4.80 | 56.3 | 0 | — | designed | |
| AFN-003654 | B | R1 CF3 · R6 OEt · R7 OEt | C19H18F3N3O2 | 377.4 | 5.19 | 56.3 | 0 | — | designed | |
| AFN-003655 | B | R1 CF3 · R6 OEt · R7 OCH2CH2OMe | C20H20F3N3O3 | 407.4 | 4.82 | 65.5 | 0 | — | designed | |
| AFN-003656 | B | R1 CF3 · R6 OEt · R7 F | C17H13F4N3O | 351.3 | 4.93 | 47.0 | 0 | — | designed | |
| AFN-003657 | B | R1 CF3 · R6 OEt · R7 O(CH2)2-morpholino | C23H25F3N4O3 | 462.5 | 4.50 | 68.7 | 0 | — | designed | |
| AFN-003658 | B | R1 CF3 · R6 OEt · R7 Cl | C17H13ClF3N3O | 367.8 | 5.44 | 47.0 | 0 | — | designed | |
| AFN-003659 | B | R1 CF3 · R6 OEt · R7 OH | C17H14F3N3O2 | 349.3 | 4.50 | 67.3 | 0 | — | designed | |
| AFN-003660 | B | R1 CF3 · R6 OCH2CH2OMe · R7 H | C18H16F3N3O2 | 363.3 | 4.42 | 56.3 | 0 | — | designed | |
| AFN-003661 | B | R1 CF3 · R6 OCH2CH2OMe · R7 OMe | C19H18F3N3O3 | 393.4 | 4.43 | 65.5 | 0 | — | designed | |
| AFN-003662 | B | R1 CF3 · R6 OCH2CH2OMe · R7 OEt | C20H20F3N3O3 | 407.4 | 4.82 | 65.5 | 0 | — | designed | |
| AFN-003663 | B | R1 CF3 · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C21H22F3N3O4 | 437.4 | 4.44 | 74.7 | 0 | — | designed | |
| AFN-003664 | B | R1 CF3 · R6 OCH2CH2OMe · R7 F | C18H15F4N3O2 | 381.3 | 4.56 | 56.3 | 0 | — | designed | |
| AFN-003665 | B | R1 CF3 · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C24H27F3N4O4 | 492.5 | 4.13 | 78.0 | 0 | — | designed | |
| AFN-003666 | B | R1 CF3 · R6 OCH2CH2OMe · R7 Cl | C18H15ClF3N3O2 | 397.8 | 5.07 | 56.3 | 1 | 6.81 | tested | |
| AFN-003667 | B | R1 CF3 · R6 OCH2CH2OMe · R7 OH | C18H16F3N3O3 | 379.3 | 4.12 | 76.5 | 1 | 6.65 | tested | |
| AFN-003668 | B | R1 CF3 · R6 O(CH2)3-morpholino · R7 H | C22H23F3N4O2 | 432.4 | 4.49 | 59.5 | 1 | 6.54 | tested | |
| AFN-003669 | B | R1 CF3 · R6 O(CH2)3-morpholino · R7 OMe | C23H25F3N4O3 | 462.5 | 4.50 | 68.7 | 0 | — | designed | |
| AFN-003670 | B | R1 CF3 · R6 O(CH2)3-morpholino · R7 OEt | C24H27F3N4O3 | 476.5 | 4.89 | 68.7 | 0 | — | designed | |
| AFN-003671 | B | R1 CF3 · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C25H29F3N4O4 | 506.5 | 4.52 | 78.0 | 1 | 7.09 | tested | |
| AFN-003672 | B | R1 CF3 · R6 O(CH2)3-morpholino · R7 F | C22H22F4N4O2 | 450.4 | 4.63 | 59.5 | 0 | — | designed | |
| AFN-003673 | B | R1 CF3 · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C28H34F3N5O4 | 561.6 | 4.20 | 81.2 | 0 | — | designed | |
| AFN-003674 | B | R1 CF3 · R6 O(CH2)3-morpholino · R7 Cl | C22H22ClF3N4O2 | 466.9 | 5.15 | 59.5 | 0 | — | designed | |
| AFN-003675 | B | R1 CF3 · R6 O(CH2)3-morpholino · R7 OH | C22H23F3N4O3 | 448.4 | 4.20 | 79.7 | 0 | — | designed | |
| AFN-003676 | B | R1 CF3 · R6 acrylamido · R7 H | C18H13F3N4O | 358.3 | 4.52 | 66.9 | 1 | 7.47 | tested | |
| AFN-003677 | B | R1 CF3 · R6 acrylamido · R7 OMe | C19H15F3N4O2 | 388.4 | 4.53 | 76.1 | 1 | 8.07 | tested | |
| AFN-003678 | B | R1 CF3 · R6 acrylamido · R7 OEt | C20H17F3N4O2 | 402.4 | 4.92 | 76.1 | 0 | — | designed | |
| AFN-003679 | B | R1 CF3 · R6 acrylamido · R7 OCH2CH2OMe | C21H19F3N4O3 | 432.4 | 4.54 | 85.4 | 0 | — | designed | |
| AFN-003680 | B | R1 CF3 · R6 acrylamido · R7 F | C18H12F4N4O | 376.3 | 4.66 | 66.9 | 0 | — | designed | |
| AFN-003681 | B | R1 CF3 · R6 acrylamido · R7 O(CH2)2-morpholino | C24H24F3N5O3 | 487.5 | 4.23 | 88.6 | 0 | — | designed | |
| AFN-003682 | B | R1 CF3 · R6 acrylamido · R7 Cl | C18H12ClF3N4O | 392.8 | 5.17 | 66.9 | 0 | — | designed | |
| AFN-003683 | B | R1 CF3 · R6 acrylamido · R7 OH | C18H13F3N4O2 | 374.3 | 4.22 | 87.1 | 0 | — | designed | |
| AFN-003684 | B | R1 OMe · R6 H · R7 H | C15H13N3O | 251.3 | 3.38 | 47.0 | 0 | — | designed | |
| AFN-003685 | B | R1 OMe · R6 H · R7 OMe | C16H15N3O2 | 281.3 | 3.39 | 56.3 | 0 | — | designed | |
| AFN-003686 | B | R1 OMe · R6 H · R7 OEt | C17H17N3O2 | 295.3 | 3.78 | 56.3 | 0 | — | designed | |
| AFN-003687 | B | R1 OMe · R6 H · R7 OCH2CH2OMe | C18H19N3O3 | 325.4 | 3.41 | 65.5 | 0 | — | designed | |
| AFN-003688 | B | R1 OMe · R6 H · R7 F | C15H12FN3O | 269.3 | 3.52 | 47.0 | 0 | — | designed | |
| AFN-003689 | B | R1 OMe · R6 H · R7 O(CH2)2-morpholino | C21H24N4O3 | 380.4 | 3.09 | 68.7 | 0 | — | designed | |
| AFN-003690 | B | R1 OMe · R6 H · R7 Cl | C15H12ClN3O | 285.7 | 4.04 | 47.0 | 0 | — | designed | |
| AFN-003691 | B | R1 OMe · R6 H · R7 OH | C15H13N3O2 | 267.3 | 3.09 | 67.3 | 0 | — | designed | |
| AFN-003692 | B | R1 OMe · R6 OMe · R7 H | C16H15N3O2 | 281.3 | 3.39 | 56.3 | 0 | — | designed | |
| AFN-003693 | B | R1 OMe · R6 OMe · R7 OMe | C17H17N3O3 | 311.3 | 3.40 | 65.5 | 0 | — | designed | |
| AFN-003694 | B | R1 OMe · R6 OMe · R7 OEt | C18H19N3O3 | 325.4 | 3.79 | 65.5 | 0 | — | designed | |
| AFN-003695 | B | R1 OMe · R6 OMe · R7 OCH2CH2OMe | C19H21N3O4 | 355.4 | 3.42 | 74.7 | 0 | — | designed | |
| AFN-003696 | B | R1 OMe · R6 OMe · R7 F | C16H14FN3O2 | 299.3 | 3.53 | 56.3 | 0 | — | designed | |
| AFN-003697 | B | R1 OMe · R6 OMe · R7 O(CH2)2-morpholino | C22H26N4O4 | 410.5 | 3.10 | 78.0 | 0 | — | designed | |
| AFN-003698 | B | R1 OMe · R6 OMe · R7 Cl | C16H14ClN3O2 | 315.8 | 4.04 | 56.3 | 0 | — | designed | |
| AFN-003699 | B | R1 OMe · R6 OMe · R7 OH | C16H15N3O3 | 297.3 | 3.10 | 76.5 | 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