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-002100 | A | R1 NMe2 · R2 Br · Ar Phenyl | C18H17BrN4 | 369.3 | 4.72 | 41.1 | 0 | — | designed | |
| AFN-002101 | A | R1 NMe2 · R2 Br · Ar Pyridin-3-yl | C17H16BrN5 | 370.3 | 4.11 | 53.9 | 0 | — | designed | |
| AFN-002102 | A | R1 NMe2 · R2 Br · Ar Pyridin-4-yl | C17H16BrN5 | 370.3 | 4.11 | 53.9 | 0 | — | designed | |
| AFN-002103 | A | R1 NMe2 · R2 Br · Ar Pyridin-2-yl | C17H16BrN5 | 370.3 | 4.11 | 53.9 | 0 | — | designed | |
| AFN-002104 | A | R1 NMe2 · R2 Br · Ar 3-F-phenyl | C18H16BrFN4 | 387.3 | 4.85 | 41.1 | 0 | — | designed | |
| AFN-002105 | A | R1 NMe2 · R2 Br · Ar 4-F-phenyl | C18H16BrFN4 | 387.3 | 4.85 | 41.1 | 0 | — | designed | |
| AFN-002106 | A | R1 NMe2 · R2 Br · Ar 3-Cl-phenyl | C18H16BrClN4 | 403.7 | 5.37 | 41.1 | 0 | — | designed | |
| AFN-002107 | A | R1 NMe2 · R2 Br · Ar 3-MeO-phenyl | C19H19BrN4O | 399.3 | 4.72 | 50.3 | 0 | — | designed | |
| AFN-002108 | A | R1 NMe2 · R2 Br · Ar 2-MeO-phenyl | C19H19BrN4O | 399.3 | 4.72 | 50.3 | 0 | — | designed | |
| AFN-002109 | A | R1 NMe2 · R2 Br · Ar 3-CN-phenyl | C19H16BrN5 | 394.3 | 4.59 | 64.8 | 0 | — | designed | |
| AFN-002110 | A | R1 NMe2 · R2 Br · Ar 3,5-diF-phenyl | C18H15BrF2N4 | 405.3 | 4.99 | 41.1 | 1 | 7.42 | tested | |
| AFN-002111 | A | R1 NMe2 · R2 Br · Ar Thiophen-2-yl | C16H15BrN4S | 375.3 | 4.78 | 41.1 | 0 | — | designed | |
| AFN-002112 | A | R1 NMe2 · R2 Br · Ar Thiophen-3-yl | C16H15BrN4S | 375.3 | 4.78 | 41.1 | 0 | — | designed | |
| AFN-002113 | A | R1 NMe2 · R2 Br · Ar Furan-3-yl | C16H15BrN4O | 359.2 | 4.31 | 54.2 | 0 | — | designed | |
| AFN-002114 | A | R1 NMe2 · R2 Br · Ar 1-Me-pyrazol-4-yl | C16H17BrN6 | 373.3 | 3.45 | 58.9 | 1 | 7.64 | tested | |
| AFN-002115 | A | R1 NMe2 · R2 Br · Ar 1-Me-indol-3-yl | C21H20BrN5 | 422.3 | 5.21 | 46.0 | 0 | — | designed | |
| AFN-002116 | A | R1 NMe2 · R2 Br · Ar Naphthalen-2-yl | C22H19BrN4 | 419.3 | 5.87 | 41.1 | 0 | — | designed | |
| AFN-002117 | A | R1 NMe2 · R2 Br · Ar Pyrimidin-5-yl | C16H15BrN6 | 371.2 | 3.51 | 66.8 | 0 | — | designed | |
| AFN-002118 | A | R1 NMe2 · R2 Br · Ar Quinolin-3-yl | C21H18BrN5 | 420.3 | 5.26 | 53.9 | 0 | — | designed | |
| AFN-002119 | A | R1 NMe2 · R2 Br · Ar 6-MeO-pyridin-3-yl | C18H18BrN5O | 400.3 | 4.12 | 63.2 | 1 | 7.94 | tested | |
| AFN-002120 | A | R1 NMe2 · R2 CF3 · Ar Phenyl | C19H17F3N4 | 358.4 | 4.97 | 41.1 | 0 | — | designed | |
| AFN-002121 | A | R1 NMe2 · R2 CF3 · Ar Pyridin-3-yl | C18H16F3N5 | 359.4 | 4.37 | 53.9 | 0 | — | designed | |
| AFN-002122 | A | R1 NMe2 · R2 CF3 · Ar Pyridin-4-yl | C18H16F3N5 | 359.4 | 4.37 | 53.9 | 1 | 7.27 | tested | |
| AFN-002123 | A | R1 NMe2 · R2 CF3 · Ar Pyridin-2-yl | C18H16F3N5 | 359.4 | 4.37 | 53.9 | 0 | — | designed | |
| AFN-002124 | A | R1 NMe2 · R2 CF3 · Ar 3-F-phenyl | C19H16F4N4 | 376.4 | 5.11 | 41.1 | 0 | — | designed | |
| AFN-002125 | A | R1 NMe2 · R2 CF3 · Ar 4-F-phenyl | C19H16F4N4 | 376.4 | 5.11 | 41.1 | 1 | 6.69 | tested | |
| AFN-002126 | A | R1 NMe2 · R2 CF3 · Ar 3-Cl-phenyl | C19H16ClF3N4 | 392.8 | 5.63 | 41.1 | 0 | — | designed | |
| AFN-002127 | A | R1 NMe2 · R2 CF3 · Ar 3-MeO-phenyl | C20H19F3N4O | 388.4 | 4.98 | 50.3 | 0 | — | designed | |
| AFN-002128 | A | R1 NMe2 · R2 CF3 · Ar 2-MeO-phenyl | C20H19F3N4O | 388.4 | 4.98 | 50.3 | 1 | 6.33 | tested | |
| AFN-002129 | A | R1 NMe2 · R2 CF3 · Ar 3-CN-phenyl | C20H16F3N5 | 383.4 | 4.84 | 64.8 | 1 | 7.09 | tested | |
| AFN-002130 | A | R1 NMe2 · R2 CF3 · Ar 3,5-diF-phenyl | C19H15F5N4 | 394.4 | 5.25 | 41.1 | 0 | — | designed | |
| AFN-002131 | A | R1 NMe2 · R2 CF3 · Ar Thiophen-2-yl | C17H15F3N4S | 364.4 | 5.03 | 41.1 | 0 | — | designed | |
| AFN-002132 | A | R1 NMe2 · R2 CF3 · Ar Thiophen-3-yl | C17H15F3N4S | 364.4 | 5.03 | 41.1 | 0 | — | designed | |
| AFN-002133 | A | R1 NMe2 · R2 CF3 · Ar Furan-3-yl | C17H15F3N4O | 348.3 | 4.57 | 54.2 | 0 | — | designed | |
| AFN-002134 | A | R1 NMe2 · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C17H17F3N6 | 362.4 | 3.71 | 58.9 | 0 | — | designed | |
| AFN-002135 | A | R1 NMe2 · R2 CF3 · Ar 1-Me-indol-3-yl | C22H20F3N5 | 411.4 | 5.46 | 46.0 | 1 | 7.13 | tested | |
| AFN-002136 | A | R1 NMe2 · R2 CF3 · Ar Naphthalen-2-yl | C23H19F3N4 | 408.4 | 6.13 | 41.1 | 0 | — | designed | |
| AFN-002137 | A | R1 NMe2 · R2 CF3 · Ar Pyrimidin-5-yl | C17H15F3N6 | 360.3 | 3.76 | 66.8 | 0 | — | designed | |
| AFN-002138 | A | R1 NMe2 · R2 CF3 · Ar Quinolin-3-yl | C22H18F3N5 | 409.4 | 5.52 | 53.9 | 0 | — | designed | |
| AFN-002139 | A | R1 NMe2 · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C19H18F3N5O | 389.4 | 4.38 | 63.2 | 0 | — | designed | |
| AFN-002140 | A | R1 NMe2 · R2 CN · Ar Phenyl | C19H17N5 | 315.4 | 3.82 | 64.8 | 0 | — | designed | |
| AFN-002141 | A | R1 NMe2 · R2 CN · Ar Pyridin-3-yl | C18H16N6 | 316.4 | 3.22 | 77.7 | 0 | — | designed | |
| AFN-002142 | A | R1 NMe2 · R2 CN · Ar Pyridin-4-yl | C18H16N6 | 316.4 | 3.22 | 77.7 | 0 | — | designed | |
| AFN-002143 | A | R1 NMe2 · R2 CN · Ar Pyridin-2-yl | C18H16N6 | 316.4 | 3.22 | 77.7 | 1 | 7.13 | tested | |
| AFN-002144 | A | R1 NMe2 · R2 CN · Ar 3-F-phenyl | C19H16FN5 | 333.4 | 3.96 | 64.8 | 0 | — | designed | |
| AFN-002145 | A | R1 NMe2 · R2 CN · Ar 4-F-phenyl | C19H16FN5 | 333.4 | 3.96 | 64.8 | 0 | — | designed | |
| AFN-002146 | A | R1 NMe2 · R2 CN · Ar 3-Cl-phenyl | C19H16ClN5 | 349.8 | 4.48 | 64.8 | 0 | — | designed | |
| AFN-002147 | A | R1 NMe2 · R2 CN · Ar 3-MeO-phenyl | C20H19N5O | 345.4 | 3.83 | 74.1 | 1 | 7.36 | tested | |
| AFN-002148 | A | R1 NMe2 · R2 CN · Ar 2-MeO-phenyl | C20H19N5O | 345.4 | 3.83 | 74.1 | 0 | — | designed | |
| AFN-002149 | A | R1 NMe2 · R2 CN · Ar 3-CN-phenyl | C20H16N6 | 340.4 | 3.70 | 88.6 | 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