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-003100 | A | R1 cyclopropyl · R2 CN · Ar Phenyl | C20H16N4 | 312.4 | 4.64 | 61.6 | 0 | — | designed | |
| AFN-003101 | A | R1 cyclopropyl · R2 CN · Ar Pyridin-3-yl | C19H15N5 | 313.4 | 4.03 | 74.5 | 1 | 7.73 | tested | |
| AFN-003102 | A | R1 cyclopropyl · R2 CN · Ar Pyridin-4-yl | C19H15N5 | 313.4 | 4.03 | 74.5 | 0 | — | designed | |
| AFN-003103 | A | R1 cyclopropyl · R2 CN · Ar Pyridin-2-yl | C19H15N5 | 313.4 | 4.03 | 74.5 | 0 | — | designed | |
| AFN-003104 | A | R1 cyclopropyl · R2 CN · Ar 3-F-phenyl | C20H15FN4 | 330.4 | 4.78 | 61.6 | 0 | — | designed | |
| AFN-003105 | A | R1 cyclopropyl · R2 CN · Ar 4-F-phenyl | C20H15FN4 | 330.4 | 4.78 | 61.6 | 0 | — | designed | |
| AFN-003106 | A | R1 cyclopropyl · R2 CN · Ar 3-Cl-phenyl | C20H15ClN4 | 346.8 | 5.29 | 61.6 | 0 | — | designed | |
| AFN-003107 | A | R1 cyclopropyl · R2 CN · Ar 3-MeO-phenyl | C21H18N4O | 342.4 | 4.64 | 70.8 | 0 | — | designed | |
| AFN-003108 | A | R1 cyclopropyl · R2 CN · Ar 2-MeO-phenyl | C21H18N4O | 342.4 | 4.64 | 70.8 | 0 | — | designed | |
| AFN-003109 | A | R1 cyclopropyl · R2 CN · Ar 3-CN-phenyl | C21H15N5 | 337.4 | 4.51 | 85.4 | 0 | — | designed | |
| AFN-003110 | A | R1 cyclopropyl · R2 CN · Ar 3,5-diF-phenyl | C20H14F2N4 | 348.4 | 4.91 | 61.6 | 0 | — | designed | |
| AFN-003111 | A | R1 cyclopropyl · R2 CN · Ar Thiophen-2-yl | C18H14N4S | 318.4 | 4.70 | 61.6 | 0 | — | designed | |
| AFN-003112 | A | R1 cyclopropyl · R2 CN · Ar Thiophen-3-yl | C18H14N4S | 318.4 | 4.70 | 61.6 | 0 | — | designed | |
| AFN-003113 | A | R1 cyclopropyl · R2 CN · Ar Furan-3-yl | C18H14N4O | 302.3 | 4.23 | 74.7 | 0 | — | designed | |
| AFN-003114 | A | R1 cyclopropyl · R2 CN · Ar 1-Me-pyrazol-4-yl | C18H16N6 | 316.4 | 3.37 | 79.4 | 0 | — | designed | |
| AFN-003115 | A | R1 cyclopropyl · R2 CN · Ar 1-Me-indol-3-yl | C23H19N5 | 365.4 | 5.13 | 66.5 | 0 | — | designed | |
| AFN-003116 | A | R1 cyclopropyl · R2 CN · Ar Naphthalen-2-yl | C24H18N4 | 362.4 | 5.79 | 61.6 | 0 | — | designed | |
| AFN-003117 | A | R1 cyclopropyl · R2 CN · Ar Pyrimidin-5-yl | C18H14N6 | 314.4 | 3.43 | 87.4 | 0 | — | designed | |
| AFN-003118 | A | R1 cyclopropyl · R2 CN · Ar Quinolin-3-yl | C23H17N5 | 363.4 | 5.18 | 74.5 | 1 | — | tested | |
| AFN-003119 | A | R1 cyclopropyl · R2 CN · Ar 6-MeO-pyridin-3-yl | C20H17N5O | 343.4 | 4.04 | 83.7 | 0 | — | designed | |
| AFN-003120 | A | R1 cyclopropyl · R2 OMe · Ar Phenyl | C20H19N3O | 317.4 | 4.77 | 47.0 | 0 | — | designed | |
| AFN-003121 | A | R1 cyclopropyl · R2 OMe · Ar Pyridin-3-yl | C19H18N4O | 318.4 | 4.17 | 59.9 | 0 | — | designed | |
| AFN-003122 | A | R1 cyclopropyl · R2 OMe · Ar Pyridin-4-yl | C19H18N4O | 318.4 | 4.17 | 59.9 | 0 | — | designed | |
| AFN-003123 | A | R1 cyclopropyl · R2 OMe · Ar Pyridin-2-yl | C19H18N4O | 318.4 | 4.17 | 59.9 | 1 | 6.73 | tested | |
| AFN-003124 | A | R1 cyclopropyl · R2 OMe · Ar 3-F-phenyl | C20H18FN3O | 335.4 | 4.91 | 47.0 | 0 | — | designed | |
| AFN-003125 | A | R1 cyclopropyl · R2 OMe · Ar 4-F-phenyl | C20H18FN3O | 335.4 | 4.91 | 47.0 | 0 | — | designed | |
| AFN-003126 | A | R1 cyclopropyl · R2 OMe · Ar 3-Cl-phenyl | C20H18ClN3O | 351.8 | 5.43 | 47.0 | 0 | — | designed | |
| AFN-003127 | A | R1 cyclopropyl · R2 OMe · Ar 3-MeO-phenyl | C21H21N3O2 | 347.4 | 4.78 | 56.3 | 0 | — | designed | |
| AFN-003128 | A | R1 cyclopropyl · R2 OMe · Ar 2-MeO-phenyl | C21H21N3O2 | 347.4 | 4.78 | 56.3 | 0 | — | designed | |
| AFN-003129 | A | R1 cyclopropyl · R2 OMe · Ar 3-CN-phenyl | C21H18N4O | 342.4 | 4.64 | 70.8 | 0 | — | designed | |
| AFN-003130 | A | R1 cyclopropyl · R2 OMe · Ar 3,5-diF-phenyl | C20H17F2N3O | 353.4 | 5.05 | 47.0 | 0 | — | designed | |
| AFN-003131 | A | R1 cyclopropyl · R2 OMe · Ar Thiophen-2-yl | C18H17N3OS | 323.4 | 4.83 | 47.0 | 0 | — | designed | |
| AFN-003132 | A | R1 cyclopropyl · R2 OMe · Ar Thiophen-3-yl | C18H17N3OS | 323.4 | 4.83 | 47.0 | 0 | — | designed | |
| AFN-003133 | A | R1 cyclopropyl · R2 OMe · Ar Furan-3-yl | C18H17N3O2 | 307.4 | 4.37 | 60.2 | 0 | — | designed | |
| AFN-003134 | A | R1 cyclopropyl · R2 OMe · Ar 1-Me-pyrazol-4-yl | C18H19N5O | 321.4 | 3.51 | 64.9 | 0 | — | designed | |
| AFN-003135 | A | R1 cyclopropyl · R2 OMe · Ar 1-Me-indol-3-yl | C23H22N4O | 370.5 | 5.26 | 52.0 | 0 | — | designed | |
| AFN-003136 | A | R1 cyclopropyl · R2 OMe · Ar Naphthalen-2-yl | C24H21N3O | 367.4 | 5.93 | 47.0 | 0 | — | designed | |
| AFN-003137 | A | R1 cyclopropyl · R2 OMe · Ar Pyrimidin-5-yl | C18H17N5O | 319.4 | 3.56 | 72.8 | 0 | — | designed | |
| AFN-003138 | A | R1 cyclopropyl · R2 OMe · Ar Quinolin-3-yl | C23H20N4O | 368.4 | 5.32 | 59.9 | 0 | — | designed | |
| AFN-003139 | A | R1 cyclopropyl · R2 OMe · Ar 6-MeO-pyridin-3-yl | C20H20N4O2 | 348.4 | 4.18 | 69.2 | 0 | — | designed | |
| AFN-003140 | A | R1 OH · R2 H · Ar Phenyl | C16H13N3O | 263.3 | 3.59 | 58.0 | 0 | — | designed | |
| AFN-003141 | A | R1 OH · R2 H · Ar Pyridin-3-yl | C15H12N4O | 264.3 | 2.99 | 70.9 | 0 | — | designed | |
| AFN-003142 | A | R1 OH · R2 H · Ar Pyridin-4-yl | C15H12N4O | 264.3 | 2.99 | 70.9 | 1 | 6.81 | tested | |
| AFN-003143 | A | R1 OH · R2 H · Ar Pyridin-2-yl | C15H12N4O | 264.3 | 2.99 | 70.9 | 0 | — | designed | |
| AFN-003144 | A | R1 OH · R2 H · Ar 3-F-phenyl | C16H12FN3O | 281.3 | 3.73 | 58.0 | 0 | — | designed | |
| AFN-003145 | A | R1 OH · R2 H · Ar 4-F-phenyl | C16H12FN3O | 281.3 | 3.73 | 58.0 | 0 | — | designed | |
| AFN-003146 | A | R1 OH · R2 H · Ar 3-Cl-phenyl | C16H12ClN3O | 297.8 | 4.25 | 58.0 | 0 | — | designed | |
| AFN-003147 | A | R1 OH · R2 H · Ar 3-MeO-phenyl | C17H15N3O2 | 293.3 | 3.60 | 67.3 | 1 | 6.84 | tested | |
| AFN-003148 | A | R1 OH · R2 H · Ar 2-MeO-phenyl | C17H15N3O2 | 293.3 | 3.60 | 67.3 | 0 | — | designed | |
| AFN-003149 | A | R1 OH · R2 H · Ar 3-CN-phenyl | C17H12N4O | 288.3 | 3.46 | 81.8 | 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