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-003850 | B | R1 CN · R6 OEt · R7 Cl | C17H13ClN4O | 324.8 | 4.30 | 70.8 | 0 | — | designed | |
| AFN-003851 | B | R1 CN · R6 OEt · R7 OH | C17H14N4O2 | 306.3 | 3.35 | 91.1 | 0 | — | designed | |
| AFN-003852 | B | R1 CN · R6 OCH2CH2OMe · R7 H | C18H16N4O2 | 320.4 | 3.27 | 80.1 | 0 | — | designed | |
| AFN-003853 | B | R1 CN · R6 OCH2CH2OMe · R7 OMe | C19H18N4O3 | 350.4 | 3.28 | 89.3 | 0 | — | designed | |
| AFN-003854 | B | R1 CN · R6 OCH2CH2OMe · R7 OEt | C20H20N4O3 | 364.4 | 3.67 | 89.3 | 0 | — | designed | |
| AFN-003855 | B | R1 CN · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C21H22N4O4 | 394.4 | 3.30 | 98.5 | 0 | — | designed | |
| AFN-003856 | B | R1 CN · R6 OCH2CH2OMe · R7 F | C18H15FN4O2 | 338.3 | 3.41 | 80.1 | 0 | — | designed | |
| AFN-003857 | B | R1 CN · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C24H27N5O4 | 449.5 | 2.98 | 101.8 | 0 | — | designed | |
| AFN-003858 | B | R1 CN · R6 OCH2CH2OMe · R7 Cl | C18H15ClN4O2 | 354.8 | 3.92 | 80.1 | 0 | — | designed | |
| AFN-003859 | B | R1 CN · R6 OCH2CH2OMe · R7 OH | C18H16N4O3 | 336.4 | 2.98 | 100.3 | 0 | — | designed | |
| AFN-003860 | B | R1 CN · R6 O(CH2)3-morpholino · R7 H | C22H23N5O2 | 389.5 | 3.35 | 83.3 | 0 | — | designed | |
| AFN-003861 | B | R1 CN · R6 O(CH2)3-morpholino · R7 OMe | C23H25N5O3 | 419.5 | 3.35 | 92.5 | 1 | 7.65 | tested | |
| AFN-003862 | B | R1 CN · R6 O(CH2)3-morpholino · R7 OEt | C24H27N5O3 | 433.5 | 3.74 | 92.5 | 0 | — | designed | |
| AFN-003863 | B | R1 CN · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C25H29N5O4 | 463.5 | 3.37 | 101.8 | 0 | — | designed | |
| AFN-003864 | B | R1 CN · R6 O(CH2)3-morpholino · R7 F | C22H22FN5O2 | 407.4 | 3.49 | 83.3 | 0 | — | designed | |
| AFN-003865 | B | R1 CN · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C28H34N6O4 | 518.6 | 3.06 | 105.0 | 0 | — | designed | |
| AFN-003866 | B | R1 CN · R6 O(CH2)3-morpholino · R7 Cl | C22H22ClN5O2 | 423.9 | 4.00 | 83.3 | 0 | — | designed | |
| AFN-003867 | B | R1 CN · R6 O(CH2)3-morpholino · R7 OH | C22H23N5O3 | 405.5 | 3.05 | 103.5 | 0 | — | designed | |
| AFN-003868 | B | R1 CN · R6 acrylamido · R7 H | C18H13N5O | 315.3 | 3.37 | 90.7 | 1 | 7.91 | tested | |
| AFN-003869 | B | R1 CN · R6 acrylamido · R7 OMe | C19H15N5O2 | 345.4 | 3.38 | 99.9 | 0 | — | designed | |
| AFN-003870 | B | R1 CN · R6 acrylamido · R7 OEt | C20H17N5O2 | 359.4 | 3.77 | 99.9 | 0 | — | designed | |
| AFN-003871 | B | R1 CN · R6 acrylamido · R7 OCH2CH2OMe | C21H19N5O3 | 389.4 | 3.39 | 109.2 | 0 | — | designed | |
| AFN-003872 | B | R1 CN · R6 acrylamido · R7 F | C18H12FN5O | 333.3 | 3.51 | 90.7 | 0 | — | designed | |
| AFN-003873 | B | R1 CN · R6 acrylamido · R7 O(CH2)2-morpholino | C24H24N6O3 | 444.5 | 3.08 | 112.4 | 1 | 8.54 | tested | |
| AFN-003874 | B | R1 CN · R6 acrylamido · R7 Cl | C18H12ClN5O | 349.8 | 4.02 | 90.7 | 0 | — | designed | |
| AFN-003875 | B | R1 CN · R6 acrylamido · R7 OH | C18H13N5O2 | 331.3 | 3.08 | 110.9 | 1 | 8.17 | tested | |
| AFN-003876 | B | R1 NMe2 · R6 H · R7 H | C16H16N4 | 264.3 | 3.44 | 41.1 | 0 | — | designed | |
| AFN-003877 | B | R1 NMe2 · R6 H · R7 OMe | C17H18N4O | 294.4 | 3.45 | 50.3 | 0 | — | designed | |
| AFN-003878 | B | R1 NMe2 · R6 H · R7 OEt | C18H20N4O | 308.4 | 3.84 | 50.3 | 0 | — | designed | |
| AFN-003879 | B | R1 NMe2 · R6 H · R7 OCH2CH2OMe | C19H22N4O2 | 338.4 | 3.46 | 59.5 | 0 | — | designed | |
| AFN-003880 | B | R1 NMe2 · R6 H · R7 F | C16H15FN4 | 282.3 | 3.58 | 41.1 | 0 | — | designed | |
| AFN-003881 | B | R1 NMe2 · R6 H · R7 O(CH2)2-morpholino | C22H27N5O2 | 393.5 | 3.15 | 62.8 | 0 | — | designed | |
| AFN-003882 | B | R1 NMe2 · R6 H · R7 Cl | C16H15ClN4 | 298.8 | 4.09 | 41.1 | 0 | — | designed | |
| AFN-003883 | B | R1 NMe2 · R6 H · R7 OH | C16H16N4O | 280.3 | 3.15 | 61.3 | 0 | — | designed | |
| AFN-003884 | B | R1 NMe2 · R6 OMe · R7 H | C17H18N4O | 294.4 | 3.45 | 50.3 | 0 | — | designed | |
| AFN-003885 | B | R1 NMe2 · R6 OMe · R7 OMe | C18H20N4O2 | 324.4 | 3.46 | 59.5 | 0 | — | designed | |
| AFN-003886 | B | R1 NMe2 · R6 OMe · R7 OEt | C19H22N4O2 | 338.4 | 3.85 | 59.5 | 0 | — | designed | |
| AFN-003887 | B | R1 NMe2 · R6 OMe · R7 OCH2CH2OMe | C20H24N4O3 | 368.4 | 3.47 | 68.7 | 0 | — | designed | |
| AFN-003888 | B | R1 NMe2 · R6 OMe · R7 F | C17H17FN4O | 312.4 | 3.59 | 50.3 | 0 | — | designed | |
| AFN-003889 | B | R1 NMe2 · R6 OMe · R7 O(CH2)2-morpholino | C23H29N5O3 | 423.5 | 3.16 | 72.0 | 0 | — | designed | |
| AFN-003890 | B | R1 NMe2 · R6 OMe · R7 Cl | C17H17ClN4O | 328.8 | 4.10 | 50.3 | 0 | — | designed | |
| AFN-003891 | B | R1 NMe2 · R6 OMe · R7 OH | C17H18N4O2 | 310.4 | 3.15 | 70.5 | 0 | — | designed | |
| AFN-003892 | B | R1 NMe2 · R6 OEt · R7 H | C18H20N4O | 308.4 | 3.84 | 50.3 | 0 | — | designed | |
| AFN-003893 | B | R1 NMe2 · R6 OEt · R7 OMe | C19H22N4O2 | 338.4 | 3.85 | 59.5 | 0 | — | designed | |
| AFN-003894 | B | R1 NMe2 · R6 OEt · R7 OEt | C20H24N4O2 | 352.4 | 4.24 | 59.5 | 0 | — | designed | |
| AFN-003895 | B | R1 NMe2 · R6 OEt · R7 OCH2CH2OMe | C21H26N4O3 | 382.5 | 3.86 | 68.7 | 0 | — | designed | |
| AFN-003896 | B | R1 NMe2 · R6 OEt · R7 F | C18H19FN4O | 326.4 | 3.98 | 50.3 | 0 | — | designed | |
| AFN-003897 | B | R1 NMe2 · R6 OEt · R7 O(CH2)2-morpholino | C24H31N5O3 | 437.5 | 3.55 | 72.0 | 0 | — | designed | |
| AFN-003898 | B | R1 NMe2 · R6 OEt · R7 Cl | C18H19ClN4O | 342.8 | 4.49 | 50.3 | 0 | — | designed | |
| AFN-003899 | B | R1 NMe2 · R6 OEt · R7 OH | C18H20N4O2 | 324.4 | 3.54 | 70.5 | 1 | — | 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