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-003750 | B | R1 OEt · R6 OEt · R7 OEt | C20H23N3O3 | 353.4 | 4.57 | 65.5 | 0 | — | designed | |
| AFN-003751 | B | R1 OEt · R6 OEt · R7 OCH2CH2OMe | C21H25N3O4 | 383.4 | 4.20 | 74.7 | 0 | — | designed | |
| AFN-003752 | B | R1 OEt · R6 OEt · R7 F | C18H18FN3O2 | 327.4 | 4.31 | 56.3 | 0 | — | designed | |
| AFN-003753 | B | R1 OEt · R6 OEt · R7 O(CH2)2-morpholino | C24H30N4O4 | 438.5 | 3.88 | 78.0 | 0 | — | designed | |
| AFN-003754 | B | R1 OEt · R6 OEt · R7 Cl | C18H18ClN3O2 | 343.8 | 4.82 | 56.3 | 0 | — | designed | |
| AFN-003755 | B | R1 OEt · R6 OEt · R7 OH | C18H19N3O3 | 325.4 | 3.88 | 76.5 | 0 | — | designed | |
| AFN-003756 | B | R1 OEt · R6 OCH2CH2OMe · R7 H | C19H21N3O3 | 339.4 | 3.80 | 65.5 | 0 | — | designed | |
| AFN-003757 | B | R1 OEt · R6 OCH2CH2OMe · R7 OMe | C20H23N3O4 | 369.4 | 3.81 | 74.7 | 0 | — | designed | |
| AFN-003758 | B | R1 OEt · R6 OCH2CH2OMe · R7 OEt | C21H25N3O4 | 383.4 | 4.20 | 74.7 | 0 | — | designed | |
| AFN-003759 | B | R1 OEt · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C22H27N3O5 | 413.5 | 3.82 | 84.0 | 0 | — | designed | |
| AFN-003760 | B | R1 OEt · R6 OCH2CH2OMe · R7 F | C19H20FN3O3 | 357.4 | 3.94 | 65.5 | 0 | — | designed | |
| AFN-003761 | B | R1 OEt · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C25H32N4O5 | 468.6 | 3.51 | 87.2 | 0 | — | designed | |
| AFN-003762 | B | R1 OEt · R6 OCH2CH2OMe · R7 Cl | C19H20ClN3O3 | 373.8 | 4.45 | 65.5 | 0 | — | designed | |
| AFN-003763 | B | R1 OEt · R6 OCH2CH2OMe · R7 OH | C19H21N3O4 | 355.4 | 3.50 | 85.7 | 0 | — | designed | |
| AFN-003764 | B | R1 OEt · R6 O(CH2)3-morpholino · R7 H | C23H28N4O3 | 408.5 | 3.87 | 68.7 | 0 | — | designed | |
| AFN-003765 | B | R1 OEt · R6 O(CH2)3-morpholino · R7 OMe | C24H30N4O4 | 438.5 | 3.88 | 78.0 | 0 | — | designed | |
| AFN-003766 | B | R1 OEt · R6 O(CH2)3-morpholino · R7 OEt | C25H32N4O4 | 452.6 | 4.27 | 78.0 | 0 | — | designed | |
| AFN-003767 | B | R1 OEt · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C26H34N4O5 | 482.6 | 3.90 | 87.2 | 1 | 7.00 | tested | |
| AFN-003768 | B | R1 OEt · R6 O(CH2)3-morpholino · R7 F | C23H27FN4O3 | 426.5 | 4.01 | 68.7 | 1 | 6.93 | tested | |
| AFN-003769 | B | R1 OEt · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C29H39N5O5 | 537.7 | 3.58 | 90.4 | 0 | — | designed | |
| AFN-003770 | B | R1 OEt · R6 O(CH2)3-morpholino · R7 Cl | C23H27ClN4O3 | 442.9 | 4.53 | 68.7 | 0 | — | designed | |
| AFN-003771 | B | R1 OEt · R6 O(CH2)3-morpholino · R7 OH | C23H28N4O4 | 424.5 | 3.58 | 89.0 | 0 | — | designed | |
| AFN-003772 | B | R1 OEt · R6 acrylamido · R7 H | C19H18N4O2 | 334.4 | 3.90 | 76.1 | 0 | — | designed | |
| AFN-003773 | B | R1 OEt · R6 acrylamido · R7 OMe | C20H20N4O3 | 364.4 | 3.91 | 85.4 | 0 | — | designed | |
| AFN-003774 | B | R1 OEt · R6 acrylamido · R7 OEt | C21H22N4O3 | 378.4 | 4.30 | 85.4 | 0 | — | designed | |
| AFN-003775 | B | R1 OEt · R6 acrylamido · R7 OCH2CH2OMe | C22H24N4O4 | 408.5 | 3.92 | 94.6 | 0 | — | designed | |
| AFN-003776 | B | R1 OEt · R6 acrylamido · R7 F | C19H17FN4O2 | 352.4 | 4.04 | 76.1 | 0 | — | designed | |
| AFN-003777 | B | R1 OEt · R6 acrylamido · R7 O(CH2)2-morpholino | C25H29N5O4 | 463.5 | 3.61 | 97.8 | 0 | — | designed | |
| AFN-003778 | B | R1 OEt · R6 acrylamido · R7 Cl | C19H17ClN4O2 | 368.8 | 4.55 | 76.1 | 0 | — | designed | |
| AFN-003779 | B | R1 OEt · R6 acrylamido · R7 OH | C19H18N4O3 | 350.4 | 3.60 | 96.4 | 0 | — | designed | |
| AFN-003780 | B | R1 OCF3 · R6 H · R7 H | C15H10F3N3O | 305.3 | 4.27 | 47.0 | 0 | — | designed | |
| AFN-003781 | B | R1 OCF3 · R6 H · R7 OMe | C16H12F3N3O2 | 335.3 | 4.28 | 56.3 | 0 | — | designed | |
| AFN-003782 | B | R1 OCF3 · R6 H · R7 OEt | C17H14F3N3O2 | 349.3 | 4.67 | 56.3 | 0 | — | designed | |
| AFN-003783 | B | R1 OCF3 · R6 H · R7 OCH2CH2OMe | C18H16F3N3O3 | 379.3 | 4.30 | 65.5 | 0 | — | designed | |
| AFN-003784 | B | R1 OCF3 · R6 H · R7 F | C15H9F4N3O | 323.3 | 4.41 | 47.0 | 0 | — | designed | |
| AFN-003785 | B | R1 OCF3 · R6 H · R7 O(CH2)2-morpholino | C21H21F3N4O3 | 434.4 | 3.98 | 68.7 | 1 | 6.83 | tested | |
| AFN-003786 | B | R1 OCF3 · R6 H · R7 Cl | C15H9ClF3N3O | 339.7 | 4.93 | 47.0 | 0 | — | designed | |
| AFN-003787 | B | R1 OCF3 · R6 H · R7 OH | C15H10F3N3O2 | 321.3 | 3.98 | 67.3 | 1 | 5.97 | tested | |
| AFN-003788 | B | R1 OCF3 · R6 OMe · R7 H | C16H12F3N3O2 | 335.3 | 4.28 | 56.3 | 1 | 6.68 | tested | |
| AFN-003789 | B | R1 OCF3 · R6 OMe · R7 OMe | C17H14F3N3O3 | 365.3 | 4.29 | 65.5 | 0 | — | designed | |
| AFN-003790 | B | R1 OCF3 · R6 OMe · R7 OEt | C18H16F3N3O3 | 379.3 | 4.68 | 65.5 | 0 | — | designed | |
| AFN-003791 | B | R1 OCF3 · R6 OMe · R7 OCH2CH2OMe | C19H18F3N3O4 | 409.4 | 4.31 | 74.7 | 1 | 7.11 | tested | |
| AFN-003792 | B | R1 OCF3 · R6 OMe · R7 F | C16H11F4N3O2 | 353.3 | 4.42 | 56.3 | 0 | — | designed | |
| AFN-003793 | B | R1 OCF3 · R6 OMe · R7 O(CH2)2-morpholino | C22H23F3N4O4 | 464.4 | 3.99 | 78.0 | 0 | — | designed | |
| AFN-003794 | B | R1 OCF3 · R6 OMe · R7 Cl | C16H11ClF3N3O2 | 369.7 | 4.93 | 56.3 | 0 | — | designed | |
| AFN-003795 | B | R1 OCF3 · R6 OMe · R7 OH | C16H12F3N3O3 | 351.3 | 3.99 | 76.5 | 0 | — | designed | |
| AFN-003796 | B | R1 OCF3 · R6 OEt · R7 H | C17H14F3N3O2 | 349.3 | 4.67 | 56.3 | 0 | — | designed | |
| AFN-003797 | B | R1 OCF3 · R6 OEt · R7 OMe | C18H16F3N3O3 | 379.3 | 4.68 | 65.5 | 0 | — | designed | |
| AFN-003798 | B | R1 OCF3 · R6 OEt · R7 OEt | C19H18F3N3O3 | 393.4 | 5.07 | 65.5 | 0 | — | designed | |
| AFN-003799 | B | R1 OCF3 · R6 OEt · R7 OCH2CH2OMe | C20H20F3N3O4 | 423.4 | 4.70 | 74.7 | 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