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-000100 | A | R1 H · R2 H · Ar Phenyl | C16H13N3 | 247.3 | 3.89 | 37.8 | 0 | — | designed | |
| AFN-000101 | A | R1 H · R2 H · Ar Pyridin-3-yl | C15H12N4 | 248.3 | 3.28 | 50.7 | 0 | — | designed | |
| AFN-000102 | A | R1 H · R2 H · Ar Pyridin-4-yl | C15H12N4 | 248.3 | 3.28 | 50.7 | 0 | — | designed | |
| AFN-000103 | A | R1 H · R2 H · Ar Pyridin-2-yl | C15H12N4 | 248.3 | 3.28 | 50.7 | 0 | — | designed | |
| AFN-000104 | A | R1 H · R2 H · Ar 3-F-phenyl | C16H12FN3 | 265.3 | 4.03 | 37.8 | 0 | — | designed | |
| AFN-000105 | A | R1 H · R2 H · Ar 4-F-phenyl | C16H12FN3 | 265.3 | 4.03 | 37.8 | 0 | — | designed | |
| AFN-000106 | A | R1 H · R2 H · Ar 3-Cl-phenyl | C16H12ClN3 | 281.8 | 4.54 | 37.8 | 1 | 6.76 | tested | |
| AFN-000107 | A | R1 H · R2 H · Ar 3-MeO-phenyl | C17H15N3O | 277.3 | 3.90 | 47.0 | 0 | — | designed | |
| AFN-000108 | A | R1 H · R2 H · Ar 2-MeO-phenyl | C17H15N3O | 277.3 | 3.90 | 47.0 | 0 | — | designed | |
| AFN-000109 | A | R1 H · R2 H · Ar 3-CN-phenyl | C17H12N4 | 272.3 | 3.76 | 61.6 | 0 | — | designed | |
| AFN-000110 | A | R1 H · R2 H · Ar 3,5-diF-phenyl | C16H11F2N3 | 283.3 | 4.17 | 37.8 | 0 | — | designed | |
| AFN-000111 | A | R1 H · R2 H · Ar Thiophen-2-yl | C14H11N3S | 253.3 | 3.95 | 37.8 | 0 | — | designed | |
| AFN-000112 | A | R1 H · R2 H · Ar Thiophen-3-yl | C14H11N3S | 253.3 | 3.95 | 37.8 | 0 | — | designed | |
| AFN-000113 | A | R1 H · R2 H · Ar Furan-3-yl | C14H11N3O | 237.3 | 3.48 | 51.0 | 0 | — | designed | |
| AFN-000114 | A | R1 H · R2 H · Ar 1-Me-pyrazol-4-yl | C14H13N5 | 251.3 | 2.62 | 55.6 | 0 | — | designed | |
| AFN-000115 | A | R1 H · R2 H · Ar 1-Me-indol-3-yl | C19H16N4 | 300.4 | 4.38 | 42.7 | 0 | — | designed | |
| AFN-000116 | A | R1 H · R2 H · Ar Naphthalen-2-yl | C20H15N3 | 297.4 | 5.04 | 37.8 | 0 | — | designed | |
| AFN-000117 | A | R1 H · R2 H · Ar Pyrimidin-5-yl | C14H11N5 | 249.3 | 2.68 | 63.6 | 0 | — | designed | |
| AFN-000118 | A | R1 H · R2 H · Ar Quinolin-3-yl | C19H14N4 | 298.4 | 4.44 | 50.7 | 0 | — | designed | |
| AFN-000119 | A | R1 H · R2 H · Ar 6-MeO-pyridin-3-yl | C16H14N4O | 278.3 | 3.29 | 59.9 | 0 | — | designed | |
| AFN-000120 | A | R1 H · R2 Me · Ar Phenyl | C17H15N3 | 261.3 | 4.20 | 37.8 | 0 | — | designed | |
| AFN-000121 | A | R1 H · R2 Me · Ar Pyridin-3-yl | C16H14N4 | 262.3 | 3.59 | 50.7 | 0 | — | designed | |
| AFN-000122 | A | R1 H · R2 Me · Ar Pyridin-4-yl | C16H14N4 | 262.3 | 3.59 | 50.7 | 0 | — | designed | |
| AFN-000123 | A | R1 H · R2 Me · Ar Pyridin-2-yl | C16H14N4 | 262.3 | 3.59 | 50.7 | 0 | — | designed | |
| AFN-000124 | A | R1 H · R2 Me · Ar 3-F-phenyl | C17H14FN3 | 279.3 | 4.33 | 37.8 | 0 | — | designed | |
| AFN-000125 | A | R1 H · R2 Me · Ar 4-F-phenyl | C17H14FN3 | 279.3 | 4.33 | 37.8 | 1 | 6.85 | tested | |
| AFN-000126 | A | R1 H · R2 Me · Ar 3-Cl-phenyl | C17H14ClN3 | 295.8 | 4.85 | 37.8 | 0 | — | designed | |
| AFN-000127 | A | R1 H · R2 Me · Ar 3-MeO-phenyl | C18H17N3O | 291.4 | 4.20 | 47.0 | 0 | — | designed | |
| AFN-000128 | A | R1 H · R2 Me · Ar 2-MeO-phenyl | C18H17N3O | 291.4 | 4.20 | 47.0 | 0 | — | designed | |
| AFN-000129 | A | R1 H · R2 Me · Ar 3-CN-phenyl | C18H14N4 | 286.3 | 4.07 | 61.6 | 1 | 7.42 | tested | |
| AFN-000130 | A | R1 H · R2 Me · Ar 3,5-diF-phenyl | C17H13F2N3 | 297.3 | 4.47 | 37.8 | 0 | — | designed | |
| AFN-000131 | A | R1 H · R2 Me · Ar Thiophen-2-yl | C15H13N3S | 267.4 | 4.26 | 37.8 | 0 | — | designed | |
| AFN-000132 | A | R1 H · R2 Me · Ar Thiophen-3-yl | C15H13N3S | 267.4 | 4.26 | 37.8 | 0 | — | designed | |
| AFN-000133 | A | R1 H · R2 Me · Ar Furan-3-yl | C15H13N3O | 251.3 | 3.79 | 51.0 | 0 | — | designed | |
| AFN-000134 | A | R1 H · R2 Me · Ar 1-Me-pyrazol-4-yl | C15H15N5 | 265.3 | 2.93 | 55.6 | 0 | — | designed | |
| AFN-000135 | A | R1 H · R2 Me · Ar 1-Me-indol-3-yl | C20H18N4 | 314.4 | 4.69 | 42.7 | 0 | — | designed | |
| AFN-000136 | A | R1 H · R2 Me · Ar Naphthalen-2-yl | C21H17N3 | 311.4 | 5.35 | 37.8 | 0 | — | designed | |
| AFN-000137 | A | R1 H · R2 Me · Ar Pyrimidin-5-yl | C15H13N5 | 263.3 | 2.99 | 63.6 | 0 | — | designed | |
| AFN-000138 | A | R1 H · R2 Me · Ar Quinolin-3-yl | C20H16N4 | 312.4 | 4.74 | 50.7 | 0 | — | designed | |
| AFN-000139 | A | R1 H · R2 Me · Ar 6-MeO-pyridin-3-yl | C17H16N4O | 292.3 | 3.60 | 59.9 | 1 | 7.46 | tested | |
| AFN-000140 | A | R1 H · R2 F · Ar Phenyl | C16H12FN3 | 265.3 | 4.03 | 37.8 | 0 | — | designed | |
| AFN-000141 | A | R1 H · R2 F · Ar Pyridin-3-yl | C15H11FN4 | 266.3 | 3.42 | 50.7 | 0 | — | designed | |
| AFN-000142 | A | R1 H · R2 F · Ar Pyridin-4-yl | C15H11FN4 | 266.3 | 3.42 | 50.7 | 0 | — | designed | |
| AFN-000143 | A | R1 H · R2 F · Ar Pyridin-2-yl | C15H11FN4 | 266.3 | 3.42 | 50.7 | 0 | — | designed | |
| AFN-000144 | A | R1 H · R2 F · Ar 3-F-phenyl | C16H11F2N3 | 283.3 | 4.17 | 37.8 | 0 | — | designed | |
| AFN-000145 | A | R1 H · R2 F · Ar 4-F-phenyl | C16H11F2N3 | 283.3 | 4.17 | 37.8 | 0 | — | designed | |
| AFN-000146 | A | R1 H · R2 F · Ar 3-Cl-phenyl | C16H11ClFN3 | 299.7 | 4.68 | 37.8 | 0 | — | designed | |
| AFN-000147 | A | R1 H · R2 F · Ar 3-MeO-phenyl | C17H14FN3O | 295.3 | 4.03 | 47.0 | 0 | — | designed | |
| AFN-000148 | A | R1 H · R2 F · Ar 2-MeO-phenyl | C17H14FN3O | 295.3 | 4.03 | 47.0 | 0 | — | designed | |
| AFN-000149 | A | R1 H · R2 F · Ar 3-CN-phenyl | C17H11FN4 | 290.3 | 3.90 | 61.6 | 1 | — | 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