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-003900 | B | R1 NMe2 · R6 OCH2CH2OMe · R7 H | C19H22N4O2 | 338.4 | 3.46 | 59.5 | 0 | — | designed | |
| AFN-003901 | B | R1 NMe2 · R6 OCH2CH2OMe · R7 OMe | C20H24N4O3 | 368.4 | 3.47 | 68.7 | 0 | — | designed | |
| AFN-003902 | B | R1 NMe2 · R6 OCH2CH2OMe · R7 OEt | C21H26N4O3 | 382.5 | 3.86 | 68.7 | 1 | 6.56 | tested | |
| AFN-003903 | B | R1 NMe2 · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C22H28N4O4 | 412.5 | 3.49 | 78.0 | 0 | — | designed | |
| AFN-003904 | B | R1 NMe2 · R6 OCH2CH2OMe · R7 F | C19H21FN4O2 | 356.4 | 3.60 | 59.5 | 0 | — | designed | |
| AFN-003905 | B | R1 NMe2 · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C25H33N5O4 | 467.6 | 3.18 | 81.2 | 0 | — | designed | |
| AFN-003906 | B | R1 NMe2 · R6 OCH2CH2OMe · R7 Cl | C19H21ClN4O2 | 372.9 | 4.12 | 59.5 | 0 | — | designed | |
| AFN-003907 | B | R1 NMe2 · R6 OCH2CH2OMe · R7 OH | C19H22N4O3 | 354.4 | 3.17 | 79.7 | 0 | — | designed | |
| AFN-003908 | B | R1 NMe2 · R6 O(CH2)3-morpholino · R7 H | C23H29N5O2 | 407.5 | 3.54 | 62.8 | 0 | — | designed | |
| AFN-003909 | B | R1 NMe2 · R6 O(CH2)3-morpholino · R7 OMe | C24H31N5O3 | 437.5 | 3.55 | 72.0 | 0 | — | designed | |
| AFN-003910 | B | R1 NMe2 · R6 O(CH2)3-morpholino · R7 OEt | C25H33N5O3 | 451.6 | 3.94 | 72.0 | 0 | — | designed | |
| AFN-003911 | B | R1 NMe2 · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C26H35N5O4 | 481.6 | 3.57 | 81.2 | 0 | — | designed | |
| AFN-003912 | B | R1 NMe2 · R6 O(CH2)3-morpholino · R7 F | C23H28FN5O2 | 425.5 | 3.68 | 62.8 | 0 | — | designed | |
| AFN-003913 | B | R1 NMe2 · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C29H40N6O4 | 536.7 | 3.25 | 84.5 | 0 | — | designed | |
| AFN-003914 | B | R1 NMe2 · R6 O(CH2)3-morpholino · R7 Cl | C23H28ClN5O2 | 442.0 | 4.19 | 62.8 | 0 | — | designed | |
| AFN-003915 | B | R1 NMe2 · R6 O(CH2)3-morpholino · R7 OH | C23H29N5O3 | 423.5 | 3.25 | 83.0 | 0 | — | designed | |
| AFN-003916 | B | R1 NMe2 · R6 acrylamido · R7 H | C19H19N5O | 333.4 | 3.56 | 70.2 | 0 | — | designed | |
| AFN-003917 | B | R1 NMe2 · R6 acrylamido · R7 OMe | C20H21N5O2 | 363.4 | 3.57 | 79.4 | 0 | — | designed | |
| AFN-003918 | B | R1 NMe2 · R6 acrylamido · R7 OEt | C21H23N5O2 | 377.4 | 3.96 | 79.4 | 0 | — | designed | |
| AFN-003919 | B | R1 NMe2 · R6 acrylamido · R7 OCH2CH2OMe | C22H25N5O3 | 407.5 | 3.59 | 88.6 | 0 | — | designed | |
| AFN-003920 | B | R1 NMe2 · R6 acrylamido · R7 F | C19H18FN5O | 351.4 | 3.70 | 70.2 | 1 | 7.63 | tested | |
| AFN-003921 | B | R1 NMe2 · R6 acrylamido · R7 O(CH2)2-morpholino | C25H30N6O3 | 462.6 | 3.27 | 91.9 | 0 | — | designed | |
| AFN-003922 | B | R1 NMe2 · R6 acrylamido · R7 Cl | C19H18ClN5O | 367.8 | 4.22 | 70.2 | 1 | 7.53 | tested | |
| AFN-003923 | B | R1 NMe2 · R6 acrylamido · R7 OH | C19H19N5O2 | 349.4 | 3.27 | 90.4 | 0 | — | designed | |
| AFN-003924 | B | R1 morpholin-4-yl · R6 H · R7 H | C18H18N4O | 306.4 | 3.21 | 50.3 | 0 | — | designed | |
| AFN-003925 | B | R1 morpholin-4-yl · R6 H · R7 OMe | C19H20N4O2 | 336.4 | 3.22 | 59.5 | 1 | 6.24 | tested | |
| AFN-003926 | B | R1 morpholin-4-yl · R6 H · R7 OEt | C20H22N4O2 | 350.4 | 3.61 | 59.5 | 0 | — | designed | |
| AFN-003927 | B | R1 morpholin-4-yl · R6 H · R7 OCH2CH2OMe | C21H24N4O3 | 380.4 | 3.24 | 68.7 | 0 | — | designed | |
| AFN-003928 | B | R1 morpholin-4-yl · R6 H · R7 F | C18H17FN4O | 324.4 | 3.35 | 50.3 | 0 | — | designed | |
| AFN-003929 | B | R1 morpholin-4-yl · R6 H · R7 O(CH2)2-morpholino | C24H29N5O3 | 435.5 | 2.92 | 72.0 | 0 | — | designed | |
| AFN-003930 | B | R1 morpholin-4-yl · R6 H · R7 Cl | C18H17ClN4O | 340.8 | 3.86 | 50.3 | 0 | — | designed | |
| AFN-003931 | B | R1 morpholin-4-yl · R6 H · R7 OH | C18H18N4O2 | 322.4 | 2.92 | 70.5 | 1 | 6.30 | tested | |
| AFN-003932 | B | R1 morpholin-4-yl · R6 OMe · R7 H | C19H20N4O2 | 336.4 | 3.22 | 59.5 | 0 | — | designed | |
| AFN-003933 | B | R1 morpholin-4-yl · R6 OMe · R7 OMe | C20H22N4O3 | 366.4 | 3.23 | 68.7 | 0 | — | designed | |
| AFN-003934 | B | R1 morpholin-4-yl · R6 OMe · R7 OEt | C21H24N4O3 | 380.4 | 3.62 | 68.7 | 0 | — | designed | |
| AFN-003935 | B | R1 morpholin-4-yl · R6 OMe · R7 OCH2CH2OMe | C22H26N4O4 | 410.5 | 3.24 | 78.0 | 0 | — | designed | |
| AFN-003936 | B | R1 morpholin-4-yl · R6 OMe · R7 F | C19H19FN4O2 | 354.4 | 3.36 | 59.5 | 0 | — | designed | |
| AFN-003937 | B | R1 morpholin-4-yl · R6 OMe · R7 O(CH2)2-morpholino | C25H31N5O4 | 465.6 | 2.93 | 81.2 | 0 | — | designed | |
| AFN-003938 | B | R1 morpholin-4-yl · R6 OMe · R7 Cl | C19H19ClN4O2 | 370.8 | 3.87 | 59.5 | 0 | — | designed | |
| AFN-003939 | B | R1 morpholin-4-yl · R6 OMe · R7 OH | C19H20N4O3 | 352.4 | 2.92 | 79.7 | 1 | 6.30 | tested | |
| AFN-003940 | B | R1 morpholin-4-yl · R6 OEt · R7 H | C20H22N4O2 | 350.4 | 3.61 | 59.5 | 0 | — | designed | |
| AFN-003941 | B | R1 morpholin-4-yl · R6 OEt · R7 OMe | C21H24N4O3 | 380.4 | 3.62 | 68.7 | 1 | 6.56 | tested | |
| AFN-003942 | B | R1 morpholin-4-yl · R6 OEt · R7 OEt | C22H26N4O3 | 394.5 | 4.01 | 68.7 | 0 | — | designed | |
| AFN-003943 | B | R1 morpholin-4-yl · R6 OEt · R7 OCH2CH2OMe | C23H28N4O4 | 424.5 | 3.63 | 78.0 | 0 | — | designed | |
| AFN-003944 | B | R1 morpholin-4-yl · R6 OEt · R7 F | C20H21FN4O2 | 368.4 | 3.75 | 59.5 | 0 | — | designed | |
| AFN-003945 | B | R1 morpholin-4-yl · R6 OEt · R7 O(CH2)2-morpholino | C26H33N5O4 | 479.6 | 3.32 | 81.2 | 0 | — | designed | |
| AFN-003946 | B | R1 morpholin-4-yl · R6 OEt · R7 Cl | C20H21ClN4O2 | 384.9 | 4.26 | 59.5 | 0 | — | designed | |
| AFN-003947 | B | R1 morpholin-4-yl · R6 OEt · R7 OH | C20H22N4O3 | 366.4 | 3.31 | 79.7 | 0 | — | designed | |
| AFN-003948 | B | R1 morpholin-4-yl · R6 OCH2CH2OMe · R7 H | C21H24N4O3 | 380.4 | 3.24 | 68.7 | 0 | — | designed | |
| AFN-003949 | B | R1 morpholin-4-yl · R6 OCH2CH2OMe · R7 OMe | C22H26N4O4 | 410.5 | 3.24 | 78.0 | 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