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-001950 | A | R1 CN · R2 Br · Ar 3,5-diF-phenyl | C17H9BrF2N4 | 387.2 | 4.80 | 61.6 | 0 | — | designed | |
| AFN-001951 | A | R1 CN · R2 Br · Ar Thiophen-2-yl | C15H9BrN4S | 357.2 | 4.58 | 61.6 | 0 | — | designed | |
| AFN-001952 | A | R1 CN · R2 Br · Ar Thiophen-3-yl | C15H9BrN4S | 357.2 | 4.58 | 61.6 | 0 | — | designed | |
| AFN-001953 | A | R1 CN · R2 Br · Ar Furan-3-yl | C15H9BrN4O | 341.2 | 4.11 | 74.7 | 0 | — | designed | |
| AFN-001954 | A | R1 CN · R2 Br · Ar 1-Me-pyrazol-4-yl | C15H11BrN6 | 355.2 | 3.25 | 79.4 | 0 | — | designed | |
| AFN-001955 | A | R1 CN · R2 Br · Ar 1-Me-indol-3-yl | C20H14BrN5 | 404.3 | 5.01 | 66.5 | 0 | — | designed | |
| AFN-001956 | A | R1 CN · R2 Br · Ar Naphthalen-2-yl | C21H13BrN4 | 401.3 | 5.67 | 61.6 | 1 | 7.54 | tested | |
| AFN-001957 | A | R1 CN · R2 Br · Ar Pyrimidin-5-yl | C15H9BrN6 | 353.2 | 3.31 | 87.4 | 0 | — | designed | |
| AFN-001958 | A | R1 CN · R2 Br · Ar Quinolin-3-yl | C20H12BrN5 | 402.3 | 5.07 | 74.5 | 0 | — | designed | |
| AFN-001959 | A | R1 CN · R2 Br · Ar 6-MeO-pyridin-3-yl | C17H12BrN5O | 382.2 | 3.92 | 83.7 | 0 | — | designed | |
| AFN-001960 | A | R1 CN · R2 CF3 · Ar Phenyl | C18H11F3N4 | 340.3 | 4.78 | 61.6 | 0 | — | designed | |
| AFN-001961 | A | R1 CN · R2 CF3 · Ar Pyridin-3-yl | C17H10F3N5 | 341.3 | 4.17 | 74.5 | 0 | — | designed | |
| AFN-001962 | A | R1 CN · R2 CF3 · Ar Pyridin-4-yl | C17H10F3N5 | 341.3 | 4.17 | 74.5 | 0 | — | designed | |
| AFN-001963 | A | R1 CN · R2 CF3 · Ar Pyridin-2-yl | C17H10F3N5 | 341.3 | 4.17 | 74.5 | 0 | — | designed | |
| AFN-001964 | A | R1 CN · R2 CF3 · Ar 3-F-phenyl | C18H10F4N4 | 358.3 | 4.92 | 61.6 | 0 | — | designed | |
| AFN-001965 | A | R1 CN · R2 CF3 · Ar 4-F-phenyl | C18H10F4N4 | 358.3 | 4.92 | 61.6 | 0 | — | designed | |
| AFN-001966 | A | R1 CN · R2 CF3 · Ar 3-Cl-phenyl | C18H10ClF3N4 | 374.8 | 5.43 | 61.6 | 0 | — | designed | |
| AFN-001967 | A | R1 CN · R2 CF3 · Ar 3-MeO-phenyl | C19H13F3N4O | 370.3 | 4.79 | 70.8 | 0 | — | designed | |
| AFN-001968 | A | R1 CN · R2 CF3 · Ar 2-MeO-phenyl | C19H13F3N4O | 370.3 | 4.79 | 70.8 | 1 | 7.32 | tested | |
| AFN-001969 | A | R1 CN · R2 CF3 · Ar 3-CN-phenyl | C19H10F3N5 | 365.3 | 4.65 | 85.4 | 0 | — | designed | |
| AFN-001970 | A | R1 CN · R2 CF3 · Ar 3,5-diF-phenyl | C18H9F5N4 | 376.3 | 5.06 | 61.6 | 0 | — | designed | |
| AFN-001971 | A | R1 CN · R2 CF3 · Ar Thiophen-2-yl | C16H9F3N4S | 346.3 | 4.84 | 61.6 | 0 | — | designed | |
| AFN-001972 | A | R1 CN · R2 CF3 · Ar Thiophen-3-yl | C16H9F3N4S | 346.3 | 4.84 | 61.6 | 0 | — | designed | |
| AFN-001973 | A | R1 CN · R2 CF3 · Ar Furan-3-yl | C16H9F3N4O | 330.3 | 4.37 | 74.7 | 0 | — | designed | |
| AFN-001974 | A | R1 CN · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C16H11F3N6 | 344.3 | 3.51 | 79.4 | 0 | — | designed | |
| AFN-001975 | A | R1 CN · R2 CF3 · Ar 1-Me-indol-3-yl | C21H14F3N5 | 393.4 | 5.27 | 66.5 | 1 | — | tested | |
| AFN-001976 | A | R1 CN · R2 CF3 · Ar Naphthalen-2-yl | C22H13F3N4 | 390.4 | 5.93 | 61.6 | 0 | — | designed | |
| AFN-001977 | A | R1 CN · R2 CF3 · Ar Pyrimidin-5-yl | C16H9F3N6 | 342.3 | 3.57 | 87.4 | 0 | — | designed | |
| AFN-001978 | A | R1 CN · R2 CF3 · Ar Quinolin-3-yl | C21H12F3N5 | 391.4 | 5.33 | 74.5 | 0 | — | designed | |
| AFN-001979 | A | R1 CN · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C18H12F3N5O | 371.3 | 4.18 | 83.7 | 0 | — | designed | |
| AFN-001980 | A | R1 CN · R2 CN · Ar Phenyl | C18H11N5 | 297.3 | 3.63 | 85.4 | 1 | 7.63 | tested | |
| AFN-001981 | A | R1 CN · R2 CN · Ar Pyridin-3-yl | C17H10N6 | 298.3 | 3.03 | 98.3 | 0 | — | designed | |
| AFN-001982 | A | R1 CN · R2 CN · Ar Pyridin-4-yl | C17H10N6 | 298.3 | 3.03 | 98.3 | 0 | — | designed | |
| AFN-001983 | A | R1 CN · R2 CN · Ar Pyridin-2-yl | C17H10N6 | 298.3 | 3.03 | 98.3 | 0 | — | designed | |
| AFN-001984 | A | R1 CN · R2 CN · Ar 3-F-phenyl | C18H10FN5 | 315.3 | 3.77 | 85.4 | 0 | — | designed | |
| AFN-001985 | A | R1 CN · R2 CN · Ar 4-F-phenyl | C18H10FN5 | 315.3 | 3.77 | 85.4 | 0 | — | designed | |
| AFN-001986 | A | R1 CN · R2 CN · Ar 3-Cl-phenyl | C18H10ClN5 | 331.8 | 4.28 | 85.4 | 0 | — | designed | |
| AFN-001987 | A | R1 CN · R2 CN · Ar 3-MeO-phenyl | C19H13N5O | 327.4 | 3.64 | 94.6 | 0 | — | designed | |
| AFN-001988 | A | R1 CN · R2 CN · Ar 2-MeO-phenyl | C19H13N5O | 327.4 | 3.64 | 94.6 | 0 | — | designed | |
| AFN-001989 | A | R1 CN · R2 CN · Ar 3-CN-phenyl | C19H10N6 | 322.3 | 3.50 | 109.2 | 1 | 8.11 | tested | |
| AFN-001990 | A | R1 CN · R2 CN · Ar 3,5-diF-phenyl | C18H9F2N5 | 333.3 | 3.91 | 85.4 | 0 | — | designed | |
| AFN-001991 | A | R1 CN · R2 CN · Ar Thiophen-2-yl | C16H9N5S | 303.4 | 3.69 | 85.4 | 0 | — | designed | |
| AFN-001992 | A | R1 CN · R2 CN · Ar Thiophen-3-yl | C16H9N5S | 303.4 | 3.69 | 85.4 | 0 | — | designed | |
| AFN-001993 | A | R1 CN · R2 CN · Ar Furan-3-yl | C16H9N5O | 287.3 | 3.22 | 98.5 | 1 | 7.86 | tested | |
| AFN-001994 | A | R1 CN · R2 CN · Ar 1-Me-pyrazol-4-yl | C16H11N7 | 301.3 | 2.36 | 103.2 | 0 | — | designed | |
| AFN-001995 | A | R1 CN · R2 CN · Ar 1-Me-indol-3-yl | C21H14N6 | 350.4 | 4.12 | 90.3 | 0 | — | designed | |
| AFN-001996 | A | R1 CN · R2 CN · Ar Naphthalen-2-yl | C22H13N5 | 347.4 | 4.78 | 85.4 | 1 | 7.71 | tested | |
| AFN-001997 | A | R1 CN · R2 CN · Ar Pyrimidin-5-yl | C16H9N7 | 299.3 | 2.42 | 111.2 | 0 | — | designed | |
| AFN-001998 | A | R1 CN · R2 CN · Ar Quinolin-3-yl | C21H12N6 | 348.4 | 4.18 | 98.3 | 0 | — | designed | |
| AFN-001999 | A | R1 CN · R2 CN · Ar 6-MeO-pyridin-3-yl | C18H12N6O | 328.3 | 3.03 | 107.5 | 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