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-003700 | B | R1 OMe · R6 OEt · R7 H | C17H17N3O2 | 295.3 | 3.78 | 56.3 | 1 | 6.99 | tested | |
| AFN-003701 | B | R1 OMe · R6 OEt · R7 OMe | C18H19N3O3 | 325.4 | 3.79 | 65.5 | 0 | — | designed | |
| AFN-003702 | B | R1 OMe · R6 OEt · R7 OEt | C19H21N3O3 | 339.4 | 4.18 | 65.5 | 0 | — | designed | |
| AFN-003703 | B | R1 OMe · R6 OEt · R7 OCH2CH2OMe | C20H23N3O4 | 369.4 | 3.81 | 74.7 | 0 | — | designed | |
| AFN-003704 | B | R1 OMe · R6 OEt · R7 F | C17H16FN3O2 | 313.3 | 3.92 | 56.3 | 1 | 7.13 | tested | |
| AFN-003705 | B | R1 OMe · R6 OEt · R7 O(CH2)2-morpholino | C23H28N4O4 | 424.5 | 3.49 | 78.0 | 0 | — | designed | |
| AFN-003706 | B | R1 OMe · R6 OEt · R7 Cl | C17H16ClN3O2 | 329.8 | 4.43 | 56.3 | 0 | — | designed | |
| AFN-003707 | B | R1 OMe · R6 OEt · R7 OH | C17H17N3O3 | 311.3 | 3.49 | 76.5 | 0 | — | designed | |
| AFN-003708 | B | R1 OMe · R6 OCH2CH2OMe · R7 H | C18H19N3O3 | 325.4 | 3.41 | 65.5 | 0 | — | designed | |
| AFN-003709 | B | R1 OMe · R6 OCH2CH2OMe · R7 OMe | C19H21N3O4 | 355.4 | 3.42 | 74.7 | 0 | — | designed | |
| AFN-003710 | B | R1 OMe · R6 OCH2CH2OMe · R7 OEt | C20H23N3O4 | 369.4 | 3.81 | 74.7 | 0 | — | designed | |
| AFN-003711 | B | R1 OMe · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C21H25N3O5 | 399.4 | 3.43 | 84.0 | 0 | — | designed | |
| AFN-003712 | B | R1 OMe · R6 OCH2CH2OMe · R7 F | C18H18FN3O3 | 343.4 | 3.55 | 65.5 | 1 | 6.87 | tested | |
| AFN-003713 | B | R1 OMe · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C24H30N4O5 | 454.5 | 3.12 | 87.2 | 0 | — | designed | |
| AFN-003714 | B | R1 OMe · R6 OCH2CH2OMe · R7 Cl | C18H18ClN3O3 | 359.8 | 4.06 | 65.5 | 0 | — | designed | |
| AFN-003715 | B | R1 OMe · R6 OCH2CH2OMe · R7 OH | C18H19N3O4 | 341.4 | 3.11 | 85.7 | 0 | — | designed | |
| AFN-003716 | B | R1 OMe · R6 O(CH2)3-morpholino · R7 H | C22H26N4O3 | 394.5 | 3.48 | 68.7 | 0 | — | designed | |
| AFN-003717 | B | R1 OMe · R6 O(CH2)3-morpholino · R7 OMe | C23H28N4O4 | 424.5 | 3.49 | 78.0 | 0 | — | designed | |
| AFN-003718 | B | R1 OMe · R6 O(CH2)3-morpholino · R7 OEt | C24H30N4O4 | 438.5 | 3.88 | 78.0 | 0 | — | designed | |
| AFN-003719 | B | R1 OMe · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C25H32N4O5 | 468.6 | 3.51 | 87.2 | 0 | — | designed | |
| AFN-003720 | B | R1 OMe · R6 O(CH2)3-morpholino · R7 F | C22H25FN4O3 | 412.5 | 3.62 | 68.7 | 1 | 6.93 | tested | |
| AFN-003721 | B | R1 OMe · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C28H37N5O5 | 523.6 | 3.19 | 90.4 | 0 | — | designed | |
| AFN-003722 | B | R1 OMe · R6 O(CH2)3-morpholino · R7 Cl | C22H25ClN4O3 | 428.9 | 4.14 | 68.7 | 0 | — | designed | |
| AFN-003723 | B | R1 OMe · R6 O(CH2)3-morpholino · R7 OH | C22H26N4O4 | 410.5 | 3.19 | 89.0 | 0 | — | designed | |
| AFN-003724 | B | R1 OMe · R6 acrylamido · R7 H | C18H16N4O2 | 320.4 | 3.51 | 76.1 | 0 | — | designed | |
| AFN-003725 | B | R1 OMe · R6 acrylamido · R7 OMe | C19H18N4O3 | 350.4 | 3.52 | 85.4 | 1 | 8.09 | tested | |
| AFN-003726 | B | R1 OMe · R6 acrylamido · R7 OEt | C20H20N4O3 | 364.4 | 3.91 | 85.4 | 1 | — | tested | |
| AFN-003727 | B | R1 OMe · R6 acrylamido · R7 OCH2CH2OMe | C21H22N4O4 | 394.4 | 3.53 | 94.6 | 0 | — | designed | |
| AFN-003728 | B | R1 OMe · R6 acrylamido · R7 F | C18H15FN4O2 | 338.3 | 3.65 | 76.1 | 1 | 7.99 | tested | |
| AFN-003729 | B | R1 OMe · R6 acrylamido · R7 O(CH2)2-morpholino | C24H27N5O4 | 449.5 | 3.22 | 97.8 | 0 | — | designed | |
| AFN-003730 | B | R1 OMe · R6 acrylamido · R7 Cl | C18H15ClN4O2 | 354.8 | 4.16 | 76.1 | 0 | — | designed | |
| AFN-003731 | B | R1 OMe · R6 acrylamido · R7 OH | C18H16N4O3 | 336.4 | 3.21 | 96.4 | 0 | — | designed | |
| AFN-003732 | B | R1 OEt · R6 H · R7 H | C16H15N3O | 265.3 | 3.77 | 47.0 | 0 | — | designed | |
| AFN-003733 | B | R1 OEt · R6 H · R7 OMe | C17H17N3O2 | 295.3 | 3.78 | 56.3 | 0 | — | designed | |
| AFN-003734 | B | R1 OEt · R6 H · R7 OEt | C18H19N3O2 | 309.4 | 4.17 | 56.3 | 0 | — | designed | |
| AFN-003735 | B | R1 OEt · R6 H · R7 OCH2CH2OMe | C19H21N3O3 | 339.4 | 3.80 | 65.5 | 0 | — | designed | |
| AFN-003736 | B | R1 OEt · R6 H · R7 F | C16H14FN3O | 283.3 | 3.91 | 47.0 | 1 | 6.42 | tested | |
| AFN-003737 | B | R1 OEt · R6 H · R7 O(CH2)2-morpholino | C22H26N4O3 | 394.5 | 3.48 | 68.7 | 0 | — | designed | |
| AFN-003738 | B | R1 OEt · R6 H · R7 Cl | C16H14ClN3O | 299.8 | 4.43 | 47.0 | 0 | — | designed | |
| AFN-003739 | B | R1 OEt · R6 H · R7 OH | C16H15N3O2 | 281.3 | 3.48 | 67.3 | 0 | — | designed | |
| AFN-003740 | B | R1 OEt · R6 OMe · R7 H | C17H17N3O2 | 295.3 | 3.78 | 56.3 | 0 | — | designed | |
| AFN-003741 | B | R1 OEt · R6 OMe · R7 OMe | C18H19N3O3 | 325.4 | 3.79 | 65.5 | 0 | — | designed | |
| AFN-003742 | B | R1 OEt · R6 OMe · R7 OEt | C19H21N3O3 | 339.4 | 4.18 | 65.5 | 1 | 6.78 | tested | |
| AFN-003743 | B | R1 OEt · R6 OMe · R7 OCH2CH2OMe | C20H23N3O4 | 369.4 | 3.81 | 74.7 | 0 | — | designed | |
| AFN-003744 | B | R1 OEt · R6 OMe · R7 F | C17H16FN3O2 | 313.3 | 3.92 | 56.3 | 1 | 6.84 | tested | |
| AFN-003745 | B | R1 OEt · R6 OMe · R7 O(CH2)2-morpholino | C23H28N4O4 | 424.5 | 3.49 | 78.0 | 0 | — | designed | |
| AFN-003746 | B | R1 OEt · R6 OMe · R7 Cl | C17H16ClN3O2 | 329.8 | 4.43 | 56.3 | 0 | — | designed | |
| AFN-003747 | B | R1 OEt · R6 OMe · R7 OH | C17H17N3O3 | 311.3 | 3.49 | 76.5 | 1 | 6.79 | tested | |
| AFN-003748 | B | R1 OEt · R6 OEt · R7 H | C18H19N3O2 | 309.4 | 4.17 | 56.3 | 0 | — | designed | |
| AFN-003749 | B | R1 OEt · R6 OEt · R7 OMe | C19H21N3O3 | 339.4 | 4.18 | 65.5 | 1 | 7.20 | 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