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-001100 | A | R1 iPr · R2 F · Ar Phenyl | C19H18FN3 | 307.4 | 5.15 | 37.8 | 0 | — | designed | |
| AFN-001101 | A | R1 iPr · R2 F · Ar Pyridin-3-yl | C18H17FN4 | 308.4 | 4.54 | 50.7 | 0 | — | designed | |
| AFN-001102 | A | R1 iPr · R2 F · Ar Pyridin-4-yl | C18H17FN4 | 308.4 | 4.54 | 50.7 | 0 | — | designed | |
| AFN-001103 | A | R1 iPr · R2 F · Ar Pyridin-2-yl | C18H17FN4 | 308.4 | 4.54 | 50.7 | 0 | — | designed | |
| AFN-001104 | A | R1 iPr · R2 F · Ar 3-F-phenyl | C19H17F2N3 | 325.4 | 5.29 | 37.8 | 0 | — | designed | |
| AFN-001105 | A | R1 iPr · R2 F · Ar 4-F-phenyl | C19H17F2N3 | 325.4 | 5.29 | 37.8 | 0 | — | designed | |
| AFN-001106 | A | R1 iPr · R2 F · Ar 3-Cl-phenyl | C19H17ClFN3 | 341.8 | 5.80 | 37.8 | 0 | — | designed | |
| AFN-001107 | A | R1 iPr · R2 F · Ar 3-MeO-phenyl | C20H20FN3O | 337.4 | 5.16 | 47.0 | 0 | — | designed | |
| AFN-001108 | A | R1 iPr · R2 F · Ar 2-MeO-phenyl | C20H20FN3O | 337.4 | 5.16 | 47.0 | 0 | — | designed | |
| AFN-001109 | A | R1 iPr · R2 F · Ar 3-CN-phenyl | C20H17FN4 | 332.4 | 5.02 | 61.6 | 0 | — | designed | |
| AFN-001110 | A | R1 iPr · R2 F · Ar 3,5-diF-phenyl | C19H16F3N3 | 343.4 | 5.43 | 37.8 | 1 | 6.81 | tested | |
| AFN-001111 | A | R1 iPr · R2 F · Ar Thiophen-2-yl | C17H16FN3S | 313.4 | 5.21 | 37.8 | 0 | — | designed | |
| AFN-001112 | A | R1 iPr · R2 F · Ar Thiophen-3-yl | C17H16FN3S | 313.4 | 5.21 | 37.8 | 0 | — | designed | |
| AFN-001113 | A | R1 iPr · R2 F · Ar Furan-3-yl | C17H16FN3O | 297.3 | 4.74 | 51.0 | 0 | — | designed | |
| AFN-001114 | A | R1 iPr · R2 F · Ar 1-Me-pyrazol-4-yl | C17H18FN5 | 311.4 | 3.88 | 55.6 | 0 | — | designed | |
| AFN-001115 | A | R1 iPr · R2 F · Ar 1-Me-indol-3-yl | C22H21FN4 | 360.4 | 5.64 | 42.7 | 0 | — | designed | |
| AFN-001116 | A | R1 iPr · R2 F · Ar Naphthalen-2-yl | C23H20FN3 | 357.4 | 6.30 | 37.8 | 0 | — | designed | |
| AFN-001117 | A | R1 iPr · R2 F · Ar Pyrimidin-5-yl | C17H16FN5 | 309.4 | 3.94 | 63.6 | 0 | — | designed | |
| AFN-001118 | A | R1 iPr · R2 F · Ar Quinolin-3-yl | C22H19FN4 | 358.4 | 5.70 | 50.7 | 0 | — | designed | |
| AFN-001119 | A | R1 iPr · R2 F · Ar 6-MeO-pyridin-3-yl | C19H19FN4O | 338.4 | 4.55 | 59.9 | 0 | — | designed | |
| AFN-001120 | A | R1 iPr · R2 Cl · Ar Phenyl | C19H18ClN3 | 323.8 | 5.66 | 37.8 | 0 | — | designed | |
| AFN-001121 | A | R1 iPr · R2 Cl · Ar Pyridin-3-yl | C18H17ClN4 | 324.8 | 5.06 | 50.7 | 0 | — | designed | |
| AFN-001122 | A | R1 iPr · R2 Cl · Ar Pyridin-4-yl | C18H17ClN4 | 324.8 | 5.06 | 50.7 | 0 | — | designed | |
| AFN-001123 | A | R1 iPr · R2 Cl · Ar Pyridin-2-yl | C18H17ClN4 | 324.8 | 5.06 | 50.7 | 0 | — | designed | |
| AFN-001124 | A | R1 iPr · R2 Cl · Ar 3-F-phenyl | C19H17ClFN3 | 341.8 | 5.80 | 37.8 | 0 | — | designed | |
| AFN-001125 | A | R1 iPr · R2 Cl · Ar 4-F-phenyl | C19H17ClFN3 | 341.8 | 5.80 | 37.8 | 0 | — | designed | |
| AFN-001126 | A | R1 iPr · R2 Cl · Ar 3-Cl-phenyl | C19H17Cl2N3 | 358.3 | 6.32 | 37.8 | 0 | — | designed | |
| AFN-001127 | A | R1 iPr · R2 Cl · Ar 3-MeO-phenyl | C20H20ClN3O | 353.9 | 5.67 | 47.0 | 0 | — | designed | |
| AFN-001128 | A | R1 iPr · R2 Cl · Ar 2-MeO-phenyl | C20H20ClN3O | 353.9 | 5.67 | 47.0 | 0 | — | designed | |
| AFN-001129 | A | R1 iPr · R2 Cl · Ar 3-CN-phenyl | C20H17ClN4 | 348.8 | 5.54 | 61.6 | 0 | — | designed | |
| AFN-001130 | A | R1 iPr · R2 Cl · Ar 3,5-diF-phenyl | C19H16ClF2N3 | 359.8 | 5.94 | 37.8 | 1 | 6.90 | tested | |
| AFN-001131 | A | R1 iPr · R2 Cl · Ar Thiophen-2-yl | C17H16ClN3S | 329.9 | 5.73 | 37.8 | 0 | — | designed | |
| AFN-001132 | A | R1 iPr · R2 Cl · Ar Thiophen-3-yl | C17H16ClN3S | 329.9 | 5.73 | 37.8 | 0 | — | designed | |
| AFN-001133 | A | R1 iPr · R2 Cl · Ar Furan-3-yl | C17H16ClN3O | 313.8 | 5.26 | 51.0 | 1 | 7.04 | tested | |
| AFN-001134 | A | R1 iPr · R2 Cl · Ar 1-Me-pyrazol-4-yl | C17H18ClN5 | 327.8 | 4.40 | 55.6 | 0 | — | designed | |
| AFN-001135 | A | R1 iPr · R2 Cl · Ar 1-Me-indol-3-yl | C22H21ClN4 | 376.9 | 6.16 | 42.7 | 0 | — | designed | |
| AFN-001136 | A | R1 iPr · R2 Cl · Ar Naphthalen-2-yl | C23H20ClN3 | 373.9 | 6.82 | 37.8 | 0 | — | designed | |
| AFN-001137 | A | R1 iPr · R2 Cl · Ar Pyrimidin-5-yl | C17H16ClN5 | 325.8 | 4.45 | 63.6 | 0 | — | designed | |
| AFN-001138 | A | R1 iPr · R2 Cl · Ar Quinolin-3-yl | C22H19ClN4 | 374.9 | 6.21 | 50.7 | 0 | — | designed | |
| AFN-001139 | A | R1 iPr · R2 Cl · Ar 6-MeO-pyridin-3-yl | C19H19ClN4O | 354.8 | 5.07 | 59.9 | 1 | 7.61 | tested | |
| AFN-001140 | A | R1 iPr · R2 Br · Ar Phenyl | C19H18BrN3 | 368.3 | 5.77 | 37.8 | 0 | — | designed | |
| AFN-001141 | A | R1 iPr · R2 Br · Ar Pyridin-3-yl | C18H17BrN4 | 369.3 | 5.17 | 50.7 | 0 | — | designed | |
| AFN-001142 | A | R1 iPr · R2 Br · Ar Pyridin-4-yl | C18H17BrN4 | 369.3 | 5.17 | 50.7 | 0 | — | designed | |
| AFN-001143 | A | R1 iPr · R2 Br · Ar Pyridin-2-yl | C18H17BrN4 | 369.3 | 5.17 | 50.7 | 1 | 6.91 | tested | |
| AFN-001144 | A | R1 iPr · R2 Br · Ar 3-F-phenyl | C19H17BrFN3 | 386.3 | 5.91 | 37.8 | 0 | — | designed | |
| AFN-001145 | A | R1 iPr · R2 Br · Ar 4-F-phenyl | C19H17BrFN3 | 386.3 | 5.91 | 37.8 | 0 | — | designed | |
| AFN-001146 | A | R1 iPr · R2 Br · Ar 3-Cl-phenyl | C19H17BrClN3 | 402.7 | 6.43 | 37.8 | 0 | — | designed | |
| AFN-001147 | A | R1 iPr · R2 Br · Ar 3-MeO-phenyl | C20H20BrN3O | 398.3 | 5.78 | 47.0 | 1 | 7.15 | tested | |
| AFN-001148 | A | R1 iPr · R2 Br · Ar 2-MeO-phenyl | C20H20BrN3O | 398.3 | 5.78 | 47.0 | 0 | — | designed | |
| AFN-001149 | A | R1 iPr · R2 Br · Ar 3-CN-phenyl | C20H17BrN4 | 393.3 | 5.64 | 61.6 | 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