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-003800 | B | R1 OCF3 · R6 OEt · R7 F | C17H13F4N3O2 | 367.3 | 4.81 | 56.3 | 0 | — | designed | |
| AFN-003801 | B | R1 OCF3 · R6 OEt · R7 O(CH2)2-morpholino | C23H25F3N4O4 | 478.5 | 4.38 | 78.0 | 0 | — | designed | |
| AFN-003802 | B | R1 OCF3 · R6 OEt · R7 Cl | C17H13ClF3N3O2 | 383.8 | 5.32 | 56.3 | 0 | — | designed | |
| AFN-003803 | B | R1 OCF3 · R6 OEt · R7 OH | C17H14F3N3O3 | 365.3 | 4.38 | 76.5 | 0 | — | designed | |
| AFN-003804 | B | R1 OCF3 · R6 OCH2CH2OMe · R7 H | C18H16F3N3O3 | 379.3 | 4.30 | 65.5 | 0 | — | designed | |
| AFN-003805 | B | R1 OCF3 · R6 OCH2CH2OMe · R7 OMe | C19H18F3N3O4 | 409.4 | 4.31 | 74.7 | 0 | — | designed | |
| AFN-003806 | B | R1 OCF3 · R6 OCH2CH2OMe · R7 OEt | C20H20F3N3O4 | 423.4 | 4.70 | 74.7 | 0 | — | designed | |
| AFN-003807 | B | R1 OCF3 · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C21H22F3N3O5 | 453.4 | 4.32 | 84.0 | 0 | — | designed | |
| AFN-003808 | B | R1 OCF3 · R6 OCH2CH2OMe · R7 F | C18H15F4N3O3 | 397.3 | 4.44 | 65.5 | 0 | — | designed | |
| AFN-003809 | B | R1 OCF3 · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C24H27F3N4O5 | 508.5 | 4.01 | 87.2 | 0 | — | designed | |
| AFN-003810 | B | R1 OCF3 · R6 OCH2CH2OMe · R7 Cl | C18H15ClF3N3O3 | 413.8 | 4.95 | 65.5 | 0 | — | designed | |
| AFN-003811 | B | R1 OCF3 · R6 OCH2CH2OMe · R7 OH | C18H16F3N3O4 | 395.3 | 4.00 | 85.7 | 0 | — | designed | |
| AFN-003812 | B | R1 OCF3 · R6 O(CH2)3-morpholino · R7 H | C22H23F3N4O3 | 448.4 | 4.37 | 68.7 | 0 | — | designed | |
| AFN-003813 | B | R1 OCF3 · R6 O(CH2)3-morpholino · R7 OMe | C23H25F3N4O4 | 478.5 | 4.38 | 78.0 | 0 | — | designed | |
| AFN-003814 | B | R1 OCF3 · R6 O(CH2)3-morpholino · R7 OEt | C24H27F3N4O4 | 492.5 | 4.77 | 78.0 | 0 | — | designed | |
| AFN-003815 | B | R1 OCF3 · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C25H29F3N4O5 | 522.5 | 4.40 | 87.2 | 0 | — | designed | |
| AFN-003816 | B | R1 OCF3 · R6 O(CH2)3-morpholino · R7 F | C22H22F4N4O3 | 466.4 | 4.51 | 68.7 | 0 | — | designed | |
| AFN-003817 | B | R1 OCF3 · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C28H34F3N5O5 | 577.6 | 4.08 | 90.4 | 0 | — | designed | |
| AFN-003818 | B | R1 OCF3 · R6 O(CH2)3-morpholino · R7 Cl | C22H22ClF3N4O3 | 482.9 | 5.03 | 68.7 | 0 | — | designed | |
| AFN-003819 | B | R1 OCF3 · R6 O(CH2)3-morpholino · R7 OH | C22H23F3N4O4 | 464.4 | 4.08 | 89.0 | 0 | — | designed | |
| AFN-003820 | B | R1 OCF3 · R6 acrylamido · R7 H | C18H13F3N4O2 | 374.3 | 4.40 | 76.1 | 1 | 7.77 | tested | |
| AFN-003821 | B | R1 OCF3 · R6 acrylamido · R7 OMe | C19H15F3N4O3 | 404.4 | 4.41 | 85.4 | 0 | — | designed | |
| AFN-003822 | B | R1 OCF3 · R6 acrylamido · R7 OEt | C20H17F3N4O3 | 418.4 | 4.80 | 85.4 | 0 | — | designed | |
| AFN-003823 | B | R1 OCF3 · R6 acrylamido · R7 OCH2CH2OMe | C21H19F3N4O4 | 448.4 | 4.42 | 94.6 | 0 | — | designed | |
| AFN-003824 | B | R1 OCF3 · R6 acrylamido · R7 F | C18H12F4N4O2 | 392.3 | 4.54 | 76.1 | 0 | — | designed | |
| AFN-003825 | B | R1 OCF3 · R6 acrylamido · R7 O(CH2)2-morpholino | C24H24F3N5O4 | 503.5 | 4.11 | 97.8 | 1 | 7.67 | tested | |
| AFN-003826 | B | R1 OCF3 · R6 acrylamido · R7 Cl | C18H12ClF3N4O2 | 408.8 | 5.05 | 76.1 | 0 | — | designed | |
| AFN-003827 | B | R1 OCF3 · R6 acrylamido · R7 OH | C18H13F3N4O3 | 390.3 | 4.10 | 96.4 | 0 | — | designed | |
| AFN-003828 | B | R1 CN · R6 H · R7 H | C15H10N4 | 246.3 | 3.25 | 61.6 | 0 | — | designed | |
| AFN-003829 | B | R1 CN · R6 H · R7 OMe | C16H12N4O | 276.3 | 3.25 | 70.8 | 0 | — | designed | |
| AFN-003830 | B | R1 CN · R6 H · R7 OEt | C17H14N4O | 290.3 | 3.64 | 70.8 | 0 | — | designed | |
| AFN-003831 | B | R1 CN · R6 H · R7 OCH2CH2OMe | C18H16N4O2 | 320.4 | 3.27 | 80.1 | 0 | — | designed | |
| AFN-003832 | B | R1 CN · R6 H · R7 F | C15H9FN4 | 264.3 | 3.38 | 61.6 | 0 | — | designed | |
| AFN-003833 | B | R1 CN · R6 H · R7 O(CH2)2-morpholino | C21H21N5O2 | 375.4 | 2.96 | 83.3 | 0 | — | designed | |
| AFN-003834 | B | R1 CN · R6 H · R7 Cl | C15H9ClN4 | 280.7 | 3.90 | 61.6 | 0 | — | designed | |
| AFN-003835 | B | R1 CN · R6 H · R7 OH | C15H10N4O | 262.3 | 2.95 | 81.8 | 0 | — | designed | |
| AFN-003836 | B | R1 CN · R6 OMe · R7 H | C16H12N4O | 276.3 | 3.25 | 70.8 | 0 | — | designed | |
| AFN-003837 | B | R1 CN · R6 OMe · R7 OMe | C17H14N4O2 | 306.3 | 3.26 | 80.1 | 0 | — | designed | |
| AFN-003838 | B | R1 CN · R6 OMe · R7 OEt | C18H16N4O2 | 320.4 | 3.65 | 80.1 | 0 | — | designed | |
| AFN-003839 | B | R1 CN · R6 OMe · R7 OCH2CH2OMe | C19H18N4O3 | 350.4 | 3.28 | 89.3 | 0 | — | designed | |
| AFN-003840 | B | R1 CN · R6 OMe · R7 F | C16H11FN4O | 294.3 | 3.39 | 70.8 | 0 | — | designed | |
| AFN-003841 | B | R1 CN · R6 OMe · R7 O(CH2)2-morpholino | C22H23N5O3 | 405.5 | 2.96 | 92.5 | 1 | 7.35 | tested | |
| AFN-003842 | B | R1 CN · R6 OMe · R7 Cl | C16H11ClN4O | 310.7 | 3.91 | 70.8 | 1 | 7.41 | tested | |
| AFN-003843 | B | R1 CN · R6 OMe · R7 OH | C16H12N4O2 | 292.3 | 2.96 | 91.1 | 0 | — | designed | |
| AFN-003844 | B | R1 CN · R6 OEt · R7 H | C17H14N4O | 290.3 | 3.64 | 70.8 | 0 | — | designed | |
| AFN-003845 | B | R1 CN · R6 OEt · R7 OMe | C18H16N4O2 | 320.4 | 3.65 | 80.1 | 1 | 7.27 | tested | |
| AFN-003846 | B | R1 CN · R6 OEt · R7 OEt | C19H18N4O2 | 334.4 | 4.04 | 80.1 | 1 | 7.24 | tested | |
| AFN-003847 | B | R1 CN · R6 OEt · R7 OCH2CH2OMe | C20H20N4O3 | 364.4 | 3.67 | 89.3 | 0 | — | designed | |
| AFN-003848 | B | R1 CN · R6 OEt · R7 F | C17H13FN4O | 308.3 | 3.78 | 70.8 | 0 | — | designed | |
| AFN-003849 | B | R1 CN · R6 OEt · R7 O(CH2)2-morpholino | C23H25N5O3 | 419.5 | 3.35 | 92.5 | 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