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-002200 | A | R1 morpholin-4-yl · R2 Me · Ar Phenyl | C21H22N4O | 346.4 | 4.03 | 50.3 | 1 | 7.39 | tested | |
| AFN-002201 | A | R1 morpholin-4-yl · R2 Me · Ar Pyridin-3-yl | C20H21N5O | 347.4 | 3.43 | 63.2 | 0 | — | designed | |
| AFN-002202 | A | R1 morpholin-4-yl · R2 Me · Ar Pyridin-4-yl | C20H21N5O | 347.4 | 3.43 | 63.2 | 0 | — | designed | |
| AFN-002203 | A | R1 morpholin-4-yl · R2 Me · Ar Pyridin-2-yl | C20H21N5O | 347.4 | 3.43 | 63.2 | 0 | — | designed | |
| AFN-002204 | A | R1 morpholin-4-yl · R2 Me · Ar 3-F-phenyl | C21H21FN4O | 364.4 | 4.17 | 50.3 | 0 | — | designed | |
| AFN-002205 | A | R1 morpholin-4-yl · R2 Me · Ar 4-F-phenyl | C21H21FN4O | 364.4 | 4.17 | 50.3 | 0 | — | designed | |
| AFN-002206 | A | R1 morpholin-4-yl · R2 Me · Ar 3-Cl-phenyl | C21H21ClN4O | 380.9 | 4.69 | 50.3 | 0 | — | designed | |
| AFN-002207 | A | R1 morpholin-4-yl · R2 Me · Ar 3-MeO-phenyl | C22H24N4O2 | 376.5 | 4.04 | 59.5 | 1 | 7.97 | tested | |
| AFN-002208 | A | R1 morpholin-4-yl · R2 Me · Ar 2-MeO-phenyl | C22H24N4O2 | 376.5 | 4.04 | 59.5 | 0 | — | designed | |
| AFN-002209 | A | R1 morpholin-4-yl · R2 Me · Ar 3-CN-phenyl | C22H21N5O | 371.4 | 3.90 | 74.1 | 0 | — | designed | |
| AFN-002210 | A | R1 morpholin-4-yl · R2 Me · Ar 3,5-diF-phenyl | C21H20F2N4O | 382.4 | 4.31 | 50.3 | 1 | 7.48 | tested | |
| AFN-002211 | A | R1 morpholin-4-yl · R2 Me · Ar Thiophen-2-yl | C19H20N4OS | 352.5 | 4.09 | 50.3 | 0 | — | designed | |
| AFN-002212 | A | R1 morpholin-4-yl · R2 Me · Ar Thiophen-3-yl | C19H20N4OS | 352.5 | 4.09 | 50.3 | 1 | 7.44 | tested | |
| AFN-002213 | A | R1 morpholin-4-yl · R2 Me · Ar Furan-3-yl | C19H20N4O2 | 336.4 | 3.63 | 63.4 | 1 | 7.45 | tested | |
| AFN-002214 | A | R1 morpholin-4-yl · R2 Me · Ar 1-Me-pyrazol-4-yl | C19H22N6O | 350.4 | 2.77 | 68.1 | 1 | 7.98 | tested | |
| AFN-002215 | A | R1 morpholin-4-yl · R2 Me · Ar 1-Me-indol-3-yl | C24H25N5O | 399.5 | 4.52 | 55.2 | 0 | — | designed | |
| AFN-002216 | A | R1 morpholin-4-yl · R2 Me · Ar Naphthalen-2-yl | C25H24N4O | 396.5 | 5.19 | 50.3 | 0 | — | designed | |
| AFN-002217 | A | R1 morpholin-4-yl · R2 Me · Ar Pyrimidin-5-yl | C19H20N6O | 348.4 | 2.82 | 76.1 | 0 | — | designed | |
| AFN-002218 | A | R1 morpholin-4-yl · R2 Me · Ar Quinolin-3-yl | C24H23N5O | 397.5 | 4.58 | 63.2 | 0 | — | designed | |
| AFN-002219 | A | R1 morpholin-4-yl · R2 Me · Ar 6-MeO-pyridin-3-yl | C21H23N5O2 | 377.4 | 3.44 | 72.4 | 1 | 8.05 | tested | |
| AFN-002220 | A | R1 morpholin-4-yl · R2 F · Ar Phenyl | C20H19FN4O | 350.4 | 3.86 | 50.3 | 1 | 7.08 | tested | |
| AFN-002221 | A | R1 morpholin-4-yl · R2 F · Ar Pyridin-3-yl | C19H18FN5O | 351.4 | 3.26 | 63.2 | 0 | — | designed | |
| AFN-002222 | A | R1 morpholin-4-yl · R2 F · Ar Pyridin-4-yl | C19H18FN5O | 351.4 | 3.26 | 63.2 | 0 | — | designed | |
| AFN-002223 | A | R1 morpholin-4-yl · R2 F · Ar Pyridin-2-yl | C19H18FN5O | 351.4 | 3.26 | 63.2 | 0 | — | designed | |
| AFN-002224 | A | R1 morpholin-4-yl · R2 F · Ar 3-F-phenyl | C20H18F2N4O | 368.4 | 4.00 | 50.3 | 0 | — | designed | |
| AFN-002225 | A | R1 morpholin-4-yl · R2 F · Ar 4-F-phenyl | C20H18F2N4O | 368.4 | 4.00 | 50.3 | 0 | — | designed | |
| AFN-002226 | A | R1 morpholin-4-yl · R2 F · Ar 3-Cl-phenyl | C20H18ClFN4O | 384.8 | 4.52 | 50.3 | 0 | — | designed | |
| AFN-002227 | A | R1 morpholin-4-yl · R2 F · Ar 3-MeO-phenyl | C21H21FN4O2 | 380.4 | 3.87 | 59.5 | 0 | — | designed | |
| AFN-002228 | A | R1 morpholin-4-yl · R2 F · Ar 2-MeO-phenyl | C21H21FN4O2 | 380.4 | 3.87 | 59.5 | 0 | — | designed | |
| AFN-002229 | A | R1 morpholin-4-yl · R2 F · Ar 3-CN-phenyl | C21H18FN5O | 375.4 | 3.73 | 74.1 | 0 | — | designed | |
| AFN-002230 | A | R1 morpholin-4-yl · R2 F · Ar 3,5-diF-phenyl | C20H17F3N4O | 386.4 | 4.14 | 50.3 | 1 | 7.53 | tested | |
| AFN-002231 | A | R1 morpholin-4-yl · R2 F · Ar Thiophen-2-yl | C18H17FN4OS | 356.4 | 3.92 | 50.3 | 0 | — | designed | |
| AFN-002232 | A | R1 morpholin-4-yl · R2 F · Ar Thiophen-3-yl | C18H17FN4OS | 356.4 | 3.92 | 50.3 | 0 | — | designed | |
| AFN-002233 | A | R1 morpholin-4-yl · R2 F · Ar Furan-3-yl | C18H17FN4O2 | 340.4 | 3.46 | 63.4 | 0 | — | designed | |
| AFN-002234 | A | R1 morpholin-4-yl · R2 F · Ar 1-Me-pyrazol-4-yl | C18H19FN6O | 354.4 | 2.60 | 68.1 | 0 | — | designed | |
| AFN-002235 | A | R1 morpholin-4-yl · R2 F · Ar 1-Me-indol-3-yl | C23H22FN5O | 403.5 | 4.35 | 55.2 | 0 | — | designed | |
| AFN-002236 | A | R1 morpholin-4-yl · R2 F · Ar Naphthalen-2-yl | C24H21FN4O | 400.5 | 5.02 | 50.3 | 0 | — | designed | |
| AFN-002237 | A | R1 morpholin-4-yl · R2 F · Ar Pyrimidin-5-yl | C18H17FN6O | 352.4 | 2.65 | 76.1 | 1 | 7.63 | tested | |
| AFN-002238 | A | R1 morpholin-4-yl · R2 F · Ar Quinolin-3-yl | C23H20FN5O | 401.4 | 4.41 | 63.2 | 1 | 8.01 | tested | |
| AFN-002239 | A | R1 morpholin-4-yl · R2 F · Ar 6-MeO-pyridin-3-yl | C20H20FN5O2 | 381.4 | 3.27 | 72.4 | 1 | 7.75 | tested | |
| AFN-002240 | A | R1 morpholin-4-yl · R2 Cl · Ar Phenyl | C20H19ClN4O | 366.9 | 4.38 | 50.3 | 0 | — | designed | |
| AFN-002241 | A | R1 morpholin-4-yl · R2 Cl · Ar Pyridin-3-yl | C19H18ClN5O | 367.8 | 3.77 | 63.2 | 0 | — | designed | |
| AFN-002242 | A | R1 morpholin-4-yl · R2 Cl · Ar Pyridin-4-yl | C19H18ClN5O | 367.8 | 3.77 | 63.2 | 0 | — | designed | |
| AFN-002243 | A | R1 morpholin-4-yl · R2 Cl · Ar Pyridin-2-yl | C19H18ClN5O | 367.8 | 3.77 | 63.2 | 0 | — | designed | |
| AFN-002244 | A | R1 morpholin-4-yl · R2 Cl · Ar 3-F-phenyl | C20H18ClFN4O | 384.8 | 4.52 | 50.3 | 0 | — | designed | |
| AFN-002245 | A | R1 morpholin-4-yl · R2 Cl · Ar 4-F-phenyl | C20H18ClFN4O | 384.8 | 4.52 | 50.3 | 0 | — | designed | |
| AFN-002246 | A | R1 morpholin-4-yl · R2 Cl · Ar 3-Cl-phenyl | C20H18Cl2N4O | 401.3 | 5.03 | 50.3 | 0 | — | designed | |
| AFN-002247 | A | R1 morpholin-4-yl · R2 Cl · Ar 3-MeO-phenyl | C21H21ClN4O2 | 396.9 | 4.39 | 59.5 | 0 | — | designed | |
| AFN-002248 | A | R1 morpholin-4-yl · R2 Cl · Ar 2-MeO-phenyl | C21H21ClN4O2 | 396.9 | 4.39 | 59.5 | 1 | 6.84 | tested | |
| AFN-002249 | A | R1 morpholin-4-yl · R2 Cl · Ar 3-CN-phenyl | C21H18ClN5O | 391.9 | 4.25 | 74.1 | 1 | 7.62 | tested |
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