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-000200 | A | R1 H · R2 CF3 · Ar Phenyl | C17H12F3N3 | 315.3 | 4.91 | 37.8 | 0 | — | designed | |
| AFN-000201 | A | R1 H · R2 CF3 · Ar Pyridin-3-yl | C16H11F3N4 | 316.3 | 4.30 | 50.7 | 0 | — | designed | |
| AFN-000202 | A | R1 H · R2 CF3 · Ar Pyridin-4-yl | C16H11F3N4 | 316.3 | 4.30 | 50.7 | 0 | — | designed | |
| AFN-000203 | A | R1 H · R2 CF3 · Ar Pyridin-2-yl | C16H11F3N4 | 316.3 | 4.30 | 50.7 | 0 | — | designed | |
| AFN-000204 | A | R1 H · R2 CF3 · Ar 3-F-phenyl | C17H11F4N3 | 333.3 | 5.05 | 37.8 | 0 | — | designed | |
| AFN-000205 | A | R1 H · R2 CF3 · Ar 4-F-phenyl | C17H11F4N3 | 333.3 | 5.05 | 37.8 | 0 | — | designed | |
| AFN-000206 | A | R1 H · R2 CF3 · Ar 3-Cl-phenyl | C17H11ClF3N3 | 349.7 | 5.56 | 37.8 | 0 | — | designed | |
| AFN-000207 | A | R1 H · R2 CF3 · Ar 3-MeO-phenyl | C18H14F3N3O | 345.3 | 4.91 | 47.0 | 0 | — | designed | |
| AFN-000208 | A | R1 H · R2 CF3 · Ar 2-MeO-phenyl | C18H14F3N3O | 345.3 | 4.91 | 47.0 | 0 | — | designed | |
| AFN-000209 | A | R1 H · R2 CF3 · Ar 3-CN-phenyl | C18H11F3N4 | 340.3 | 4.78 | 61.6 | 0 | — | designed | |
| AFN-000210 | A | R1 H · R2 CF3 · Ar 3,5-diF-phenyl | C17H10F5N3 | 351.3 | 5.18 | 37.8 | 0 | — | designed | |
| AFN-000211 | A | R1 H · R2 CF3 · Ar Thiophen-2-yl | C15H10F3N3S | 321.3 | 4.97 | 37.8 | 0 | — | designed | |
| AFN-000212 | A | R1 H · R2 CF3 · Ar Thiophen-3-yl | C15H10F3N3S | 321.3 | 4.97 | 37.8 | 0 | — | designed | |
| AFN-000213 | A | R1 H · R2 CF3 · Ar Furan-3-yl | C15H10F3N3O | 305.3 | 4.50 | 51.0 | 1 | 6.16 | tested | |
| AFN-000214 | A | R1 H · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C15H12F3N5 | 319.3 | 3.64 | 55.6 | 0 | — | designed | |
| AFN-000215 | A | R1 H · R2 CF3 · Ar 1-Me-indol-3-yl | C20H15F3N4 | 368.4 | 5.40 | 42.7 | 0 | — | designed | |
| AFN-000216 | A | R1 H · R2 CF3 · Ar Naphthalen-2-yl | C21H14F3N3 | 365.4 | 6.06 | 37.8 | 0 | — | designed | |
| AFN-000217 | A | R1 H · R2 CF3 · Ar Pyrimidin-5-yl | C15H10F3N5 | 317.3 | 3.70 | 63.6 | 0 | — | designed | |
| AFN-000218 | A | R1 H · R2 CF3 · Ar Quinolin-3-yl | C20H13F3N4 | 366.4 | 5.45 | 50.7 | 0 | — | designed | |
| AFN-000219 | A | R1 H · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C17H13F3N4O | 346.3 | 4.31 | 59.9 | 0 | — | designed | |
| AFN-000220 | A | R1 H · R2 CN · Ar Phenyl | C17H12N4 | 272.3 | 3.76 | 61.6 | 0 | — | designed | |
| AFN-000221 | A | R1 H · R2 CN · Ar Pyridin-3-yl | C16H11N5 | 273.3 | 3.15 | 74.5 | 1 | 7.46 | tested | |
| AFN-000222 | A | R1 H · R2 CN · Ar Pyridin-4-yl | C16H11N5 | 273.3 | 3.15 | 74.5 | 0 | — | designed | |
| AFN-000223 | A | R1 H · R2 CN · Ar Pyridin-2-yl | C16H11N5 | 273.3 | 3.15 | 74.5 | 0 | — | designed | |
| AFN-000224 | A | R1 H · R2 CN · Ar 3-F-phenyl | C17H11FN4 | 290.3 | 3.90 | 61.6 | 0 | — | designed | |
| AFN-000225 | A | R1 H · R2 CN · Ar 4-F-phenyl | C17H11FN4 | 290.3 | 3.90 | 61.6 | 0 | — | designed | |
| AFN-000226 | A | R1 H · R2 CN · Ar 3-Cl-phenyl | C17H11ClN4 | 306.8 | 4.41 | 61.6 | 1 | 6.95 | tested | |
| AFN-000227 | A | R1 H · R2 CN · Ar 3-MeO-phenyl | C18H14N4O | 302.3 | 3.77 | 70.8 | 0 | — | designed | |
| AFN-000228 | A | R1 H · R2 CN · Ar 2-MeO-phenyl | C18H14N4O | 302.3 | 3.77 | 70.8 | 0 | — | designed | |
| AFN-000229 | A | R1 H · R2 CN · Ar 3-CN-phenyl | C18H11N5 | 297.3 | 3.63 | 85.4 | 0 | — | designed | |
| AFN-000230 | A | R1 H · R2 CN · Ar 3,5-diF-phenyl | C17H10F2N4 | 308.3 | 4.04 | 61.6 | 0 | — | designed | |
| AFN-000231 | A | R1 H · R2 CN · Ar Thiophen-2-yl | C15H10N4S | 278.3 | 3.82 | 61.6 | 0 | — | designed | |
| AFN-000232 | A | R1 H · R2 CN · Ar Thiophen-3-yl | C15H10N4S | 278.3 | 3.82 | 61.6 | 1 | 6.87 | tested | |
| AFN-000233 | A | R1 H · R2 CN · Ar Furan-3-yl | C15H10N4O | 262.3 | 3.35 | 74.7 | 1 | 6.44 | tested | |
| AFN-000234 | A | R1 H · R2 CN · Ar 1-Me-pyrazol-4-yl | C15H12N6 | 276.3 | 2.49 | 79.4 | 0 | — | designed | |
| AFN-000235 | A | R1 H · R2 CN · Ar 1-Me-indol-3-yl | C20H15N5 | 325.4 | 4.25 | 66.5 | 0 | — | designed | |
| AFN-000236 | A | R1 H · R2 CN · Ar Naphthalen-2-yl | C21H14N4 | 322.4 | 4.91 | 61.6 | 1 | 6.47 | tested | |
| AFN-000237 | A | R1 H · R2 CN · Ar Pyrimidin-5-yl | C15H10N6 | 274.3 | 2.55 | 87.4 | 0 | — | designed | |
| AFN-000238 | A | R1 H · R2 CN · Ar Quinolin-3-yl | C20H13N5 | 323.4 | 4.31 | 74.5 | 0 | — | designed | |
| AFN-000239 | A | R1 H · R2 CN · Ar 6-MeO-pyridin-3-yl | C17H13N5O | 303.3 | 3.16 | 83.7 | 1 | — | tested | |
| AFN-000240 | A | R1 H · R2 OMe · Ar Phenyl | C17H15N3O | 277.3 | 3.90 | 47.0 | 0 | — | designed | |
| AFN-000241 | A | R1 H · R2 OMe · Ar Pyridin-3-yl | C16H14N4O | 278.3 | 3.29 | 59.9 | 0 | — | designed | |
| AFN-000242 | A | R1 H · R2 OMe · Ar Pyridin-4-yl | C16H14N4O | 278.3 | 3.29 | 59.9 | 0 | — | designed | |
| AFN-000243 | A | R1 H · R2 OMe · Ar Pyridin-2-yl | C16H14N4O | 278.3 | 3.29 | 59.9 | 0 | — | designed | |
| AFN-000244 | A | R1 H · R2 OMe · Ar 3-F-phenyl | C17H14FN3O | 295.3 | 4.03 | 47.0 | 0 | — | designed | |
| AFN-000245 | A | R1 H · R2 OMe · Ar 4-F-phenyl | C17H14FN3O | 295.3 | 4.03 | 47.0 | 0 | — | designed | |
| AFN-000246 | A | R1 H · R2 OMe · Ar 3-Cl-phenyl | C17H14ClN3O | 311.8 | 4.55 | 47.0 | 0 | — | designed | |
| AFN-000247 | A | R1 H · R2 OMe · Ar 3-MeO-phenyl | C18H17N3O2 | 307.4 | 3.90 | 56.3 | 0 | — | designed | |
| AFN-000248 | A | R1 H · R2 OMe · Ar 2-MeO-phenyl | C18H17N3O2 | 307.4 | 3.90 | 56.3 | 0 | — | designed | |
| AFN-000249 | A | R1 H · R2 OMe · Ar 3-CN-phenyl | C18H14N4O | 302.3 | 3.77 | 70.8 | 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