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-001200 | A | R1 iPr · R2 OMe · Ar Phenyl | C20H21N3O | 319.4 | 5.02 | 47.0 | 0 | — | designed | |
| AFN-001201 | A | R1 iPr · R2 OMe · Ar Pyridin-3-yl | C19H20N4O | 320.4 | 4.41 | 59.9 | 0 | — | designed | |
| AFN-001202 | A | R1 iPr · R2 OMe · Ar Pyridin-4-yl | C19H20N4O | 320.4 | 4.41 | 59.9 | 0 | — | designed | |
| AFN-001203 | A | R1 iPr · R2 OMe · Ar Pyridin-2-yl | C19H20N4O | 320.4 | 4.41 | 59.9 | 0 | — | designed | |
| AFN-001204 | A | R1 iPr · R2 OMe · Ar 3-F-phenyl | C20H20FN3O | 337.4 | 5.16 | 47.0 | 0 | — | designed | |
| AFN-001205 | A | R1 iPr · R2 OMe · Ar 4-F-phenyl | C20H20FN3O | 337.4 | 5.16 | 47.0 | 0 | — | designed | |
| AFN-001206 | A | R1 iPr · R2 OMe · Ar 3-Cl-phenyl | C20H20ClN3O | 353.9 | 5.67 | 47.0 | 0 | — | designed | |
| AFN-001207 | A | R1 iPr · R2 OMe · Ar 3-MeO-phenyl | C21H23N3O2 | 349.4 | 5.03 | 56.3 | 0 | — | designed | |
| AFN-001208 | A | R1 iPr · R2 OMe · Ar 2-MeO-phenyl | C21H23N3O2 | 349.4 | 5.03 | 56.3 | 0 | — | designed | |
| AFN-001209 | A | R1 iPr · R2 OMe · Ar 3-CN-phenyl | C21H20N4O | 344.4 | 4.89 | 70.8 | 0 | — | designed | |
| AFN-001210 | A | R1 iPr · R2 OMe · Ar 3,5-diF-phenyl | C20H19F2N3O | 355.4 | 5.30 | 47.0 | 0 | — | designed | |
| AFN-001211 | A | R1 iPr · R2 OMe · Ar Thiophen-2-yl | C18H19N3OS | 325.4 | 5.08 | 47.0 | 0 | — | designed | |
| AFN-001212 | A | R1 iPr · R2 OMe · Ar Thiophen-3-yl | C18H19N3OS | 325.4 | 5.08 | 47.0 | 0 | — | designed | |
| AFN-001213 | A | R1 iPr · R2 OMe · Ar Furan-3-yl | C18H19N3O2 | 309.4 | 4.61 | 60.2 | 0 | — | designed | |
| AFN-001214 | A | R1 iPr · R2 OMe · Ar 1-Me-pyrazol-4-yl | C18H21N5O | 323.4 | 3.75 | 64.9 | 0 | — | designed | |
| AFN-001215 | A | R1 iPr · R2 OMe · Ar 1-Me-indol-3-yl | C23H24N4O | 372.5 | 5.51 | 52.0 | 0 | — | designed | |
| AFN-001216 | A | R1 iPr · R2 OMe · Ar Naphthalen-2-yl | C24H23N3O | 369.5 | 6.17 | 47.0 | 0 | — | designed | |
| AFN-001217 | A | R1 iPr · R2 OMe · Ar Pyrimidin-5-yl | C18H19N5O | 321.4 | 3.81 | 72.8 | 0 | — | designed | |
| AFN-001218 | A | R1 iPr · R2 OMe · Ar Quinolin-3-yl | C23H22N4O | 370.5 | 5.57 | 59.9 | 0 | — | designed | |
| AFN-001219 | A | R1 iPr · R2 OMe · Ar 6-MeO-pyridin-3-yl | C20H22N4O2 | 350.4 | 4.42 | 69.2 | 0 | — | designed | |
| AFN-001220 | A | R1 CF3 · R2 H · Ar Phenyl | C17H12F3N3 | 315.3 | 4.91 | 37.8 | 0 | — | designed | |
| AFN-001221 | A | R1 CF3 · R2 H · Ar Pyridin-3-yl | C16H11F3N4 | 316.3 | 4.30 | 50.7 | 1 | 7.75 | tested | |
| AFN-001222 | A | R1 CF3 · R2 H · Ar Pyridin-4-yl | C16H11F3N4 | 316.3 | 4.30 | 50.7 | 0 | — | designed | |
| AFN-001223 | A | R1 CF3 · R2 H · Ar Pyridin-2-yl | C16H11F3N4 | 316.3 | 4.30 | 50.7 | 0 | — | designed | |
| AFN-001224 | A | R1 CF3 · R2 H · Ar 3-F-phenyl | C17H11F4N3 | 333.3 | 5.05 | 37.8 | 0 | — | designed | |
| AFN-001225 | A | R1 CF3 · R2 H · Ar 4-F-phenyl | C17H11F4N3 | 333.3 | 5.05 | 37.8 | 0 | — | designed | |
| AFN-001226 | A | R1 CF3 · R2 H · Ar 3-Cl-phenyl | C17H11ClF3N3 | 349.7 | 5.56 | 37.8 | 0 | — | designed | |
| AFN-001227 | A | R1 CF3 · R2 H · Ar 3-MeO-phenyl | C18H14F3N3O | 345.3 | 4.91 | 47.0 | 0 | — | designed | |
| AFN-001228 | A | R1 CF3 · R2 H · Ar 2-MeO-phenyl | C18H14F3N3O | 345.3 | 4.91 | 47.0 | 0 | — | designed | |
| AFN-001229 | A | R1 CF3 · R2 H · Ar 3-CN-phenyl | C18H11F3N4 | 340.3 | 4.78 | 61.6 | 1 | 7.77 | tested | |
| AFN-001230 | A | R1 CF3 · R2 H · Ar 3,5-diF-phenyl | C17H10F5N3 | 351.3 | 5.18 | 37.8 | 0 | — | designed | |
| AFN-001231 | A | R1 CF3 · R2 H · Ar Thiophen-2-yl | C15H10F3N3S | 321.3 | 4.97 | 37.8 | 0 | — | designed | |
| AFN-001232 | A | R1 CF3 · R2 H · Ar Thiophen-3-yl | C15H10F3N3S | 321.3 | 4.97 | 37.8 | 0 | — | designed | |
| AFN-001233 | A | R1 CF3 · R2 H · Ar Furan-3-yl | C15H10F3N3O | 305.3 | 4.50 | 51.0 | 0 | — | designed | |
| AFN-001234 | A | R1 CF3 · R2 H · Ar 1-Me-pyrazol-4-yl | C15H12F3N5 | 319.3 | 3.64 | 55.6 | 0 | — | designed | |
| AFN-001235 | A | R1 CF3 · R2 H · Ar 1-Me-indol-3-yl | C20H15F3N4 | 368.4 | 5.40 | 42.7 | 0 | — | designed | |
| AFN-001236 | A | R1 CF3 · R2 H · Ar Naphthalen-2-yl | C21H14F3N3 | 365.4 | 6.06 | 37.8 | 1 | 6.92 | tested | |
| AFN-001237 | A | R1 CF3 · R2 H · Ar Pyrimidin-5-yl | C15H10F3N5 | 317.3 | 3.70 | 63.6 | 0 | — | designed | |
| AFN-001238 | A | R1 CF3 · R2 H · Ar Quinolin-3-yl | C20H13F3N4 | 366.4 | 5.45 | 50.7 | 0 | — | designed | |
| AFN-001239 | A | R1 CF3 · R2 H · Ar 6-MeO-pyridin-3-yl | C17H13F3N4O | 346.3 | 4.31 | 59.9 | 0 | — | designed | |
| AFN-001240 | A | R1 CF3 · R2 Me · Ar Phenyl | C18H14F3N3 | 329.3 | 5.21 | 37.8 | 0 | — | designed | |
| AFN-001241 | A | R1 CF3 · R2 Me · Ar Pyridin-3-yl | C17H13F3N4 | 330.3 | 4.61 | 50.7 | 0 | — | designed | |
| AFN-001242 | A | R1 CF3 · R2 Me · Ar Pyridin-4-yl | C17H13F3N4 | 330.3 | 4.61 | 50.7 | 0 | — | designed | |
| AFN-001243 | A | R1 CF3 · R2 Me · Ar Pyridin-2-yl | C17H13F3N4 | 330.3 | 4.61 | 50.7 | 0 | — | designed | |
| AFN-001244 | A | R1 CF3 · R2 Me · Ar 3-F-phenyl | C18H13F4N3 | 347.3 | 5.35 | 37.8 | 0 | — | designed | |
| AFN-001245 | A | R1 CF3 · R2 Me · Ar 4-F-phenyl | C18H13F4N3 | 347.3 | 5.35 | 37.8 | 0 | — | designed | |
| AFN-001246 | A | R1 CF3 · R2 Me · Ar 3-Cl-phenyl | C18H13ClF3N3 | 363.8 | 5.87 | 37.8 | 0 | — | designed | |
| AFN-001247 | A | R1 CF3 · R2 Me · Ar 3-MeO-phenyl | C19H16F3N3O | 359.4 | 5.22 | 47.0 | 0 | — | designed | |
| AFN-001248 | A | R1 CF3 · R2 Me · Ar 2-MeO-phenyl | C19H16F3N3O | 359.4 | 5.22 | 47.0 | 0 | — | designed | |
| AFN-001249 | A | R1 CF3 · R2 Me · Ar 3-CN-phenyl | C19H13F3N4 | 354.3 | 5.09 | 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