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-004250 | B | R1 OH · R6 O(CH2)3-morpholino · R7 Cl | C21H23ClN4O3 | 414.9 | 3.83 | 79.7 | 1 | 6.50 | tested | |
| AFN-004251 | B | R1 OH · R6 O(CH2)3-morpholino · R7 OH | C21H24N4O4 | 396.4 | 2.89 | 100.0 | 0 | — | designed | |
| AFN-004252 | B | R1 OH · R6 acrylamido · R7 H | C17H14N4O2 | 306.3 | 3.20 | 87.1 | 0 | — | designed | |
| AFN-004253 | B | R1 OH · R6 acrylamido · R7 OMe | C18H16N4O3 | 336.4 | 3.21 | 96.4 | 0 | — | designed | |
| AFN-004254 | B | R1 OH · R6 acrylamido · R7 OEt | C19H18N4O3 | 350.4 | 3.60 | 96.4 | 0 | — | designed | |
| AFN-004255 | B | R1 OH · R6 acrylamido · R7 OCH2CH2OMe | C20H20N4O4 | 380.4 | 3.23 | 105.6 | 1 | 7.44 | tested | |
| AFN-004256 | B | R1 OH · R6 acrylamido · R7 F | C17H13FN4O2 | 324.3 | 3.34 | 87.1 | 0 | — | designed | |
| AFN-004257 | B | R1 OH · R6 acrylamido · R7 O(CH2)2-morpholino | C23H25N5O4 | 435.5 | 2.91 | 108.8 | 0 | — | designed | |
| AFN-004258 | B | R1 OH · R6 acrylamido · R7 Cl | C17H13ClN4O2 | 340.8 | 3.86 | 87.1 | 1 | 6.91 | tested | |
| AFN-004259 | B | R1 OH · R6 acrylamido · R7 OH | C17H14N4O3 | 322.3 | 2.91 | 107.4 | 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