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-002150 | A | R1 NMe2 · R2 CN · Ar 3,5-diF-phenyl | C19H15F2N5 | 351.4 | 4.10 | 64.8 | 0 | — | designed | |
| AFN-002151 | A | R1 NMe2 · R2 CN · Ar Thiophen-2-yl | C17H15N5S | 321.4 | 3.89 | 64.8 | 0 | — | designed | |
| AFN-002152 | A | R1 NMe2 · R2 CN · Ar Thiophen-3-yl | C17H15N5S | 321.4 | 3.89 | 64.8 | 0 | — | designed | |
| AFN-002153 | A | R1 NMe2 · R2 CN · Ar Furan-3-yl | C17H15N5O | 305.3 | 3.42 | 78.0 | 1 | 6.85 | tested | |
| AFN-002154 | A | R1 NMe2 · R2 CN · Ar 1-Me-pyrazol-4-yl | C17H17N7 | 319.4 | 2.56 | 82.7 | 0 | — | designed | |
| AFN-002155 | A | R1 NMe2 · R2 CN · Ar 1-Me-indol-3-yl | C22H20N6 | 368.4 | 4.32 | 69.8 | 1 | 7.20 | tested | |
| AFN-002156 | A | R1 NMe2 · R2 CN · Ar Naphthalen-2-yl | C23H19N5 | 365.4 | 4.98 | 64.8 | 0 | — | designed | |
| AFN-002157 | A | R1 NMe2 · R2 CN · Ar Pyrimidin-5-yl | C17H15N7 | 317.4 | 2.61 | 90.6 | 0 | — | designed | |
| AFN-002158 | A | R1 NMe2 · R2 CN · Ar Quinolin-3-yl | C22H18N6 | 366.4 | 4.37 | 77.7 | 0 | — | designed | |
| AFN-002159 | A | R1 NMe2 · R2 CN · Ar 6-MeO-pyridin-3-yl | C19H18N6O | 346.4 | 3.23 | 87.0 | 0 | — | designed | |
| AFN-002160 | A | R1 NMe2 · R2 OMe · Ar Phenyl | C19H20N4O | 320.4 | 3.96 | 50.3 | 1 | 6.82 | tested | |
| AFN-002161 | A | R1 NMe2 · R2 OMe · Ar Pyridin-3-yl | C18H19N5O | 321.4 | 3.36 | 63.2 | 0 | — | designed | |
| AFN-002162 | A | R1 NMe2 · R2 OMe · Ar Pyridin-4-yl | C18H19N5O | 321.4 | 3.36 | 63.2 | 0 | — | designed | |
| AFN-002163 | A | R1 NMe2 · R2 OMe · Ar Pyridin-2-yl | C18H19N5O | 321.4 | 3.36 | 63.2 | 0 | — | designed | |
| AFN-002164 | A | R1 NMe2 · R2 OMe · Ar 3-F-phenyl | C19H19FN4O | 338.4 | 4.10 | 50.3 | 0 | — | designed | |
| AFN-002165 | A | R1 NMe2 · R2 OMe · Ar 4-F-phenyl | C19H19FN4O | 338.4 | 4.10 | 50.3 | 0 | — | designed | |
| AFN-002166 | A | R1 NMe2 · R2 OMe · Ar 3-Cl-phenyl | C19H19ClN4O | 354.8 | 4.62 | 50.3 | 0 | — | designed | |
| AFN-002167 | A | R1 NMe2 · R2 OMe · Ar 3-MeO-phenyl | C20H22N4O2 | 350.4 | 3.97 | 59.5 | 0 | — | designed | |
| AFN-002168 | A | R1 NMe2 · R2 OMe · Ar 2-MeO-phenyl | C20H22N4O2 | 350.4 | 3.97 | 59.5 | 0 | — | designed | |
| AFN-002169 | A | R1 NMe2 · R2 OMe · Ar 3-CN-phenyl | C20H19N5O | 345.4 | 3.83 | 74.1 | 0 | — | designed | |
| AFN-002170 | A | R1 NMe2 · R2 OMe · Ar 3,5-diF-phenyl | C19H18F2N4O | 356.4 | 4.24 | 50.3 | 0 | — | designed | |
| AFN-002171 | A | R1 NMe2 · R2 OMe · Ar Thiophen-2-yl | C17H18N4OS | 326.4 | 4.02 | 50.3 | 0 | — | designed | |
| AFN-002172 | A | R1 NMe2 · R2 OMe · Ar Thiophen-3-yl | C17H18N4OS | 326.4 | 4.02 | 50.3 | 0 | — | designed | |
| AFN-002173 | A | R1 NMe2 · R2 OMe · Ar Furan-3-yl | C17H18N4O2 | 310.4 | 3.55 | 63.4 | 0 | — | designed | |
| AFN-002174 | A | R1 NMe2 · R2 OMe · Ar 1-Me-pyrazol-4-yl | C17H20N6O | 324.4 | 2.70 | 68.1 | 0 | — | designed | |
| AFN-002175 | A | R1 NMe2 · R2 OMe · Ar 1-Me-indol-3-yl | C22H23N5O | 373.5 | 4.45 | 55.2 | 0 | — | designed | |
| AFN-002176 | A | R1 NMe2 · R2 OMe · Ar Naphthalen-2-yl | C23H22N4O | 370.5 | 5.12 | 50.3 | 0 | — | designed | |
| AFN-002177 | A | R1 NMe2 · R2 OMe · Ar Pyrimidin-5-yl | C17H18N6O | 322.4 | 2.75 | 76.1 | 0 | — | designed | |
| AFN-002178 | A | R1 NMe2 · R2 OMe · Ar Quinolin-3-yl | C22H21N5O | 371.4 | 4.51 | 63.2 | 0 | — | designed | |
| AFN-002179 | A | R1 NMe2 · R2 OMe · Ar 6-MeO-pyridin-3-yl | C19H21N5O2 | 351.4 | 3.37 | 72.4 | 0 | — | designed | |
| AFN-002180 | A | R1 morpholin-4-yl · R2 H · Ar Phenyl | C20H20N4O | 332.4 | 3.72 | 50.3 | 0 | — | designed | |
| AFN-002181 | A | R1 morpholin-4-yl · R2 H · Ar Pyridin-3-yl | C19H19N5O | 333.4 | 3.12 | 63.2 | 0 | — | designed | |
| AFN-002182 | A | R1 morpholin-4-yl · R2 H · Ar Pyridin-4-yl | C19H19N5O | 333.4 | 3.12 | 63.2 | 0 | — | designed | |
| AFN-002183 | A | R1 morpholin-4-yl · R2 H · Ar Pyridin-2-yl | C19H19N5O | 333.4 | 3.12 | 63.2 | 0 | — | designed | |
| AFN-002184 | A | R1 morpholin-4-yl · R2 H · Ar 3-F-phenyl | C20H19FN4O | 350.4 | 3.86 | 50.3 | 0 | — | designed | |
| AFN-002185 | A | R1 morpholin-4-yl · R2 H · Ar 4-F-phenyl | C20H19FN4O | 350.4 | 3.86 | 50.3 | 0 | — | designed | |
| AFN-002186 | A | R1 morpholin-4-yl · R2 H · Ar 3-Cl-phenyl | C20H19ClN4O | 366.9 | 4.38 | 50.3 | 0 | — | designed | |
| AFN-002187 | A | R1 morpholin-4-yl · R2 H · Ar 3-MeO-phenyl | C21H22N4O2 | 362.4 | 3.73 | 59.5 | 0 | — | designed | |
| AFN-002188 | A | R1 morpholin-4-yl · R2 H · Ar 2-MeO-phenyl | C21H22N4O2 | 362.4 | 3.73 | 59.5 | 0 | — | designed | |
| AFN-002189 | A | R1 morpholin-4-yl · R2 H · Ar 3-CN-phenyl | C21H19N5O | 357.4 | 3.60 | 74.1 | 0 | — | designed | |
| AFN-002190 | A | R1 morpholin-4-yl · R2 H · Ar 3,5-diF-phenyl | C20H18F2N4O | 368.4 | 4.00 | 50.3 | 0 | — | designed | |
| AFN-002191 | A | R1 morpholin-4-yl · R2 H · Ar Thiophen-2-yl | C18H18N4OS | 338.4 | 3.79 | 50.3 | 0 | — | designed | |
| AFN-002192 | A | R1 morpholin-4-yl · R2 H · Ar Thiophen-3-yl | C18H18N4OS | 338.4 | 3.79 | 50.3 | 0 | — | designed | |
| AFN-002193 | A | R1 morpholin-4-yl · R2 H · Ar Furan-3-yl | C18H18N4O2 | 322.4 | 3.32 | 63.4 | 1 | 7.09 | tested | |
| AFN-002194 | A | R1 morpholin-4-yl · R2 H · Ar 1-Me-pyrazol-4-yl | C18H20N6O | 336.4 | 2.46 | 68.1 | 0 | — | designed | |
| AFN-002195 | A | R1 morpholin-4-yl · R2 H · Ar 1-Me-indol-3-yl | C23H23N5O | 385.5 | 4.22 | 55.2 | 0 | — | designed | |
| AFN-002196 | A | R1 morpholin-4-yl · R2 H · Ar Naphthalen-2-yl | C24H22N4O | 382.5 | 4.88 | 50.3 | 0 | — | designed | |
| AFN-002197 | A | R1 morpholin-4-yl · R2 H · Ar Pyrimidin-5-yl | C18H18N6O | 334.4 | 2.51 | 76.1 | 0 | — | designed | |
| AFN-002198 | A | R1 morpholin-4-yl · R2 H · Ar Quinolin-3-yl | C23H21N5O | 383.5 | 4.27 | 63.2 | 0 | — | designed | |
| AFN-002199 | A | R1 morpholin-4-yl · R2 H · Ar 6-MeO-pyridin-3-yl | C20H21N5O2 | 363.4 | 3.13 | 72.4 | 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