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-004050 | B | R1 SO2Me · R6 OCH2CH2OMe · R7 Cl | C18H18ClN3O4S | 407.9 | 3.46 | 90.4 | 0 | — | designed | |
| AFN-004051 | B | R1 SO2Me · R6 OCH2CH2OMe · R7 OH | C18H19N3O5S | 389.4 | 2.51 | 110.6 | 0 | — | designed | |
| AFN-004052 | B | R1 SO2Me · R6 O(CH2)3-morpholino · R7 H | C22H26N4O4S | 442.5 | 2.88 | 93.7 | 0 | — | designed | |
| AFN-004053 | B | R1 SO2Me · R6 O(CH2)3-morpholino · R7 OMe | C23H28N4O5S | 472.6 | 2.89 | 102.9 | 0 | — | designed | |
| AFN-004054 | B | R1 SO2Me · R6 O(CH2)3-morpholino · R7 OEt | C24H30N4O5S | 486.6 | 3.28 | 102.9 | 0 | — | designed | |
| AFN-004055 | B | R1 SO2Me · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C25H32N4O6S | 516.6 | 2.90 | 112.1 | 0 | — | designed | |
| AFN-004056 | B | R1 SO2Me · R6 O(CH2)3-morpholino · R7 F | C22H25FN4O4S | 460.5 | 3.02 | 93.7 | 0 | — | designed | |
| AFN-004057 | B | R1 SO2Me · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C28H37N5O6S | 571.7 | 2.59 | 115.4 | 0 | — | designed | |
| AFN-004058 | B | R1 SO2Me · R6 O(CH2)3-morpholino · R7 Cl | C22H25ClN4O4S | 477.0 | 3.53 | 93.7 | 0 | — | designed | |
| AFN-004059 | B | R1 SO2Me · R6 O(CH2)3-morpholino · R7 OH | C22H26N4O5S | 458.5 | 2.58 | 113.9 | 0 | — | designed | |
| AFN-004060 | B | R1 SO2Me · R6 acrylamido · R7 H | C18H16N4O3S | 368.4 | 2.90 | 101.1 | 1 | 7.26 | tested | |
| AFN-004061 | B | R1 SO2Me · R6 acrylamido · R7 OMe | C19H18N4O4S | 398.4 | 2.91 | 110.3 | 0 | — | designed | |
| AFN-004062 | B | R1 SO2Me · R6 acrylamido · R7 OEt | C20H20N4O4S | 412.5 | 3.30 | 110.3 | 0 | — | designed | |
| AFN-004063 | B | R1 SO2Me · R6 acrylamido · R7 OCH2CH2OMe | C21H22N4O5S | 442.5 | 2.93 | 119.5 | 0 | — | designed | |
| AFN-004064 | B | R1 SO2Me · R6 acrylamido · R7 F | C18H15FN4O3S | 386.4 | 3.04 | 101.1 | 0 | — | designed | |
| AFN-004065 | B | R1 SO2Me · R6 acrylamido · R7 O(CH2)2-morpholino | C24H27N5O5S | 497.6 | 2.61 | 122.8 | 0 | — | designed | |
| AFN-004066 | B | R1 SO2Me · R6 acrylamido · R7 Cl | C18H15ClN4O3S | 402.9 | 3.55 | 101.1 | 0 | — | designed | |
| AFN-004067 | B | R1 SO2Me · R6 acrylamido · R7 OH | C18H16N4O4S | 384.4 | 2.61 | 121.3 | 1 | 7.36 | tested | |
| AFN-004068 | B | R1 CONH2 · R6 H · R7 H | C15H12N4O | 264.3 | 2.47 | 80.9 | 0 | — | designed | |
| AFN-004069 | B | R1 CONH2 · R6 H · R7 OMe | C16H14N4O2 | 294.3 | 2.48 | 90.1 | 0 | — | designed | |
| AFN-004070 | B | R1 CONH2 · R6 H · R7 OEt | C17H16N4O2 | 308.3 | 2.87 | 90.1 | 0 | — | designed | |
| AFN-004071 | B | R1 CONH2 · R6 H · R7 OCH2CH2OMe | C18H18N4O3 | 338.4 | 2.50 | 99.4 | 0 | — | designed | |
| AFN-004072 | B | R1 CONH2 · R6 H · R7 F | C15H11FN4O | 282.3 | 2.61 | 80.9 | 1 | 6.10 | tested | |
| AFN-004073 | B | R1 CONH2 · R6 H · R7 O(CH2)2-morpholino | C21H23N5O3 | 393.4 | 2.18 | 102.6 | 0 | — | designed | |
| AFN-004074 | B | R1 CONH2 · R6 H · R7 Cl | C15H11ClN4O | 298.7 | 3.13 | 80.9 | 0 | — | designed | |
| AFN-004075 | B | R1 CONH2 · R6 H · R7 OH | C15H12N4O2 | 280.3 | 2.18 | 101.1 | 0 | — | designed | |
| AFN-004076 | B | R1 CONH2 · R6 OMe · R7 H | C16H14N4O2 | 294.3 | 2.48 | 90.1 | 0 | — | designed | |
| AFN-004077 | B | R1 CONH2 · R6 OMe · R7 OMe | C17H16N4O3 | 324.3 | 2.49 | 99.4 | 0 | — | designed | |
| AFN-004078 | B | R1 CONH2 · R6 OMe · R7 OEt | C18H18N4O3 | 338.4 | 2.88 | 99.4 | 0 | — | designed | |
| AFN-004079 | B | R1 CONH2 · R6 OMe · R7 OCH2CH2OMe | C19H20N4O4 | 368.4 | 2.51 | 108.6 | 0 | — | designed | |
| AFN-004080 | B | R1 CONH2 · R6 OMe · R7 F | C16H13FN4O2 | 312.3 | 2.62 | 90.1 | 0 | — | designed | |
| AFN-004081 | B | R1 CONH2 · R6 OMe · R7 O(CH2)2-morpholino | C22H25N5O4 | 423.5 | 2.19 | 111.8 | 0 | — | designed | |
| AFN-004082 | B | R1 CONH2 · R6 OMe · R7 Cl | C16H13ClN4O2 | 328.8 | 3.13 | 90.1 | 0 | — | designed | |
| AFN-004083 | B | R1 CONH2 · R6 OMe · R7 OH | C16H14N4O3 | 310.3 | 2.19 | 110.4 | 0 | — | designed | |
| AFN-004084 | B | R1 CONH2 · R6 OEt · R7 H | C17H16N4O2 | 308.3 | 2.87 | 90.1 | 0 | — | designed | |
| AFN-004085 | B | R1 CONH2 · R6 OEt · R7 OMe | C18H18N4O3 | 338.4 | 2.88 | 99.4 | 0 | — | designed | |
| AFN-004086 | B | R1 CONH2 · R6 OEt · R7 OEt | C19H20N4O3 | 352.4 | 3.27 | 99.4 | 0 | — | designed | |
| AFN-004087 | B | R1 CONH2 · R6 OEt · R7 OCH2CH2OMe | C20H22N4O4 | 382.4 | 2.90 | 108.6 | 0 | — | designed | |
| AFN-004088 | B | R1 CONH2 · R6 OEt · R7 F | C17H15FN4O2 | 326.3 | 3.01 | 90.1 | 1 | 6.30 | tested | |
| AFN-004089 | B | R1 CONH2 · R6 OEt · R7 O(CH2)2-morpholino | C23H27N5O4 | 437.5 | 2.58 | 111.8 | 0 | — | designed | |
| AFN-004090 | B | R1 CONH2 · R6 OEt · R7 Cl | C17H15ClN4O2 | 342.8 | 3.52 | 90.1 | 0 | — | designed | |
| AFN-004091 | B | R1 CONH2 · R6 OEt · R7 OH | C17H16N4O3 | 324.3 | 2.58 | 110.4 | 1 | 6.07 | tested | |
| AFN-004092 | B | R1 CONH2 · R6 OCH2CH2OMe · R7 H | C18H18N4O3 | 338.4 | 2.50 | 99.4 | 0 | — | designed | |
| AFN-004093 | B | R1 CONH2 · R6 OCH2CH2OMe · R7 OMe | C19H20N4O4 | 368.4 | 2.51 | 108.6 | 0 | — | designed | |
| AFN-004094 | B | R1 CONH2 · R6 OCH2CH2OMe · R7 OEt | C20H22N4O4 | 382.4 | 2.90 | 108.6 | 0 | — | designed | |
| AFN-004095 | B | R1 CONH2 · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C21H24N4O5 | 412.4 | 2.52 | 117.8 | 0 | — | designed | |
| AFN-004096 | B | R1 CONH2 · R6 OCH2CH2OMe · R7 F | C18H17FN4O3 | 356.4 | 2.64 | 99.4 | 0 | — | designed | |
| AFN-004097 | B | R1 CONH2 · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C24H29N5O5 | 467.5 | 2.21 | 121.1 | 1 | 6.82 | tested | |
| AFN-004098 | B | R1 CONH2 · R6 OCH2CH2OMe · R7 Cl | C18H17ClN4O3 | 372.8 | 3.15 | 99.4 | 0 | — | designed | |
| AFN-004099 | B | R1 CONH2 · R6 OCH2CH2OMe · R7 OH | C18H18N4O4 | 354.4 | 2.20 | 119.6 | 1 | 6.36 | 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