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-002300 | A | R1 morpholin-4-yl · R2 CN · Ar Phenyl | C21H19N5O | 357.4 | 3.60 | 74.1 | 0 | — | designed | |
| AFN-002301 | A | R1 morpholin-4-yl · R2 CN · Ar Pyridin-3-yl | C20H18N6O | 358.4 | 2.99 | 87.0 | 1 | 7.83 | tested | |
| AFN-002302 | A | R1 morpholin-4-yl · R2 CN · Ar Pyridin-4-yl | C20H18N6O | 358.4 | 2.99 | 87.0 | 0 | — | designed | |
| AFN-002303 | A | R1 morpholin-4-yl · R2 CN · Ar Pyridin-2-yl | C20H18N6O | 358.4 | 2.99 | 87.0 | 0 | — | designed | |
| AFN-002304 | A | R1 morpholin-4-yl · R2 CN · Ar 3-F-phenyl | C21H18FN5O | 375.4 | 3.73 | 74.1 | 0 | — | designed | |
| AFN-002305 | A | R1 morpholin-4-yl · R2 CN · Ar 4-F-phenyl | C21H18FN5O | 375.4 | 3.73 | 74.1 | 0 | — | designed | |
| AFN-002306 | A | R1 morpholin-4-yl · R2 CN · Ar 3-Cl-phenyl | C21H18ClN5O | 391.9 | 4.25 | 74.1 | 0 | — | designed | |
| AFN-002307 | A | R1 morpholin-4-yl · R2 CN · Ar 3-MeO-phenyl | C22H21N5O2 | 387.4 | 3.60 | 83.3 | 0 | — | designed | |
| AFN-002308 | A | R1 morpholin-4-yl · R2 CN · Ar 2-MeO-phenyl | C22H21N5O2 | 387.4 | 3.60 | 83.3 | 0 | — | designed | |
| AFN-002309 | A | R1 morpholin-4-yl · R2 CN · Ar 3-CN-phenyl | C22H18N6O | 382.4 | 3.47 | 97.9 | 0 | — | designed | |
| AFN-002310 | A | R1 morpholin-4-yl · R2 CN · Ar 3,5-diF-phenyl | C21H17F2N5O | 393.4 | 3.87 | 74.1 | 0 | — | designed | |
| AFN-002311 | A | R1 morpholin-4-yl · R2 CN · Ar Thiophen-2-yl | C19H17N5OS | 363.4 | 3.66 | 74.1 | 0 | — | designed | |
| AFN-002312 | A | R1 morpholin-4-yl · R2 CN · Ar Thiophen-3-yl | C19H17N5OS | 363.4 | 3.66 | 74.1 | 1 | — | tested | |
| AFN-002313 | A | R1 morpholin-4-yl · R2 CN · Ar Furan-3-yl | C19H17N5O2 | 347.4 | 3.19 | 87.2 | 0 | — | designed | |
| AFN-002314 | A | R1 morpholin-4-yl · R2 CN · Ar 1-Me-pyrazol-4-yl | C19H19N7O | 361.4 | 2.33 | 91.9 | 0 | — | designed | |
| AFN-002315 | A | R1 morpholin-4-yl · R2 CN · Ar 1-Me-indol-3-yl | C24H22N6O | 410.5 | 4.09 | 79.0 | 0 | — | designed | |
| AFN-002316 | A | R1 morpholin-4-yl · R2 CN · Ar Naphthalen-2-yl | C25H21N5O | 407.5 | 4.75 | 74.1 | 1 | 7.27 | tested | |
| AFN-002317 | A | R1 morpholin-4-yl · R2 CN · Ar Pyrimidin-5-yl | C19H17N7O | 359.4 | 2.39 | 99.8 | 0 | — | designed | |
| AFN-002318 | A | R1 morpholin-4-yl · R2 CN · Ar Quinolin-3-yl | C24H20N6O | 408.5 | 4.14 | 87.0 | 0 | — | designed | |
| AFN-002319 | A | R1 morpholin-4-yl · R2 CN · Ar 6-MeO-pyridin-3-yl | C21H20N6O2 | 388.4 | 3.00 | 96.2 | 0 | — | designed | |
| AFN-002320 | A | R1 morpholin-4-yl · R2 OMe · Ar Phenyl | C21H22N4O2 | 362.4 | 3.73 | 59.5 | 0 | — | designed | |
| AFN-002321 | A | R1 morpholin-4-yl · R2 OMe · Ar Pyridin-3-yl | C20H21N5O2 | 363.4 | 3.13 | 72.4 | 0 | — | designed | |
| AFN-002322 | A | R1 morpholin-4-yl · R2 OMe · Ar Pyridin-4-yl | C20H21N5O2 | 363.4 | 3.13 | 72.4 | 1 | 7.34 | tested | |
| AFN-002323 | A | R1 morpholin-4-yl · R2 OMe · Ar Pyridin-2-yl | C20H21N5O2 | 363.4 | 3.13 | 72.4 | 1 | 7.26 | tested | |
| AFN-002324 | A | R1 morpholin-4-yl · R2 OMe · Ar 3-F-phenyl | C21H21FN4O2 | 380.4 | 3.87 | 59.5 | 0 | — | designed | |
| AFN-002325 | A | R1 morpholin-4-yl · R2 OMe · Ar 4-F-phenyl | C21H21FN4O2 | 380.4 | 3.87 | 59.5 | 1 | 7.10 | tested | |
| AFN-002326 | A | R1 morpholin-4-yl · R2 OMe · Ar 3-Cl-phenyl | C21H21ClN4O2 | 396.9 | 4.39 | 59.5 | 0 | — | designed | |
| AFN-002327 | A | R1 morpholin-4-yl · R2 OMe · Ar 3-MeO-phenyl | C22H24N4O3 | 392.5 | 3.74 | 68.7 | 0 | — | designed | |
| AFN-002328 | A | R1 morpholin-4-yl · R2 OMe · Ar 2-MeO-phenyl | C22H24N4O3 | 392.5 | 3.74 | 68.7 | 0 | — | designed | |
| AFN-002329 | A | R1 morpholin-4-yl · R2 OMe · Ar 3-CN-phenyl | C22H21N5O2 | 387.4 | 3.60 | 83.3 | 0 | — | designed | |
| AFN-002330 | A | R1 morpholin-4-yl · R2 OMe · Ar 3,5-diF-phenyl | C21H20F2N4O2 | 398.4 | 4.01 | 59.5 | 0 | — | designed | |
| AFN-002331 | A | R1 morpholin-4-yl · R2 OMe · Ar Thiophen-2-yl | C19H20N4O2S | 368.5 | 3.79 | 59.5 | 0 | — | designed | |
| AFN-002332 | A | R1 morpholin-4-yl · R2 OMe · Ar Thiophen-3-yl | C19H20N4O2S | 368.5 | 3.79 | 59.5 | 0 | — | designed | |
| AFN-002333 | A | R1 morpholin-4-yl · R2 OMe · Ar Furan-3-yl | C19H20N4O3 | 352.4 | 3.33 | 72.7 | 0 | — | designed | |
| AFN-002334 | A | R1 morpholin-4-yl · R2 OMe · Ar 1-Me-pyrazol-4-yl | C19H22N6O2 | 366.4 | 2.47 | 77.3 | 0 | — | designed | |
| AFN-002335 | A | R1 morpholin-4-yl · R2 OMe · Ar 1-Me-indol-3-yl | C24H25N5O2 | 415.5 | 4.22 | 64.4 | 0 | — | designed | |
| AFN-002336 | A | R1 morpholin-4-yl · R2 OMe · Ar Naphthalen-2-yl | C25H24N4O2 | 412.5 | 4.89 | 59.5 | 0 | — | designed | |
| AFN-002337 | A | R1 morpholin-4-yl · R2 OMe · Ar Pyrimidin-5-yl | C19H20N6O2 | 364.4 | 2.52 | 85.3 | 0 | — | designed | |
| AFN-002338 | A | R1 morpholin-4-yl · R2 OMe · Ar Quinolin-3-yl | C24H23N5O2 | 413.5 | 4.28 | 72.4 | 0 | — | designed | |
| AFN-002339 | A | R1 morpholin-4-yl · R2 OMe · Ar 6-MeO-pyridin-3-yl | C21H23N5O3 | 393.4 | 3.14 | 81.6 | 1 | 7.68 | tested | |
| AFN-002340 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar Phenyl | C21H23N5 | 345.4 | 3.64 | 44.3 | 0 | — | designed | |
| AFN-002341 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar Pyridin-3-yl | C20H22N6 | 346.4 | 3.03 | 57.2 | 0 | — | designed | |
| AFN-002342 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar Pyridin-4-yl | C20H22N6 | 346.4 | 3.03 | 57.2 | 0 | — | designed | |
| AFN-002343 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar Pyridin-2-yl | C20H22N6 | 346.4 | 3.03 | 57.2 | 0 | — | designed | |
| AFN-002344 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar 3-F-phenyl | C21H22FN5 | 363.4 | 3.78 | 44.3 | 0 | — | designed | |
| AFN-002345 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar 4-F-phenyl | C21H22FN5 | 363.4 | 3.78 | 44.3 | 1 | 7.03 | tested | |
| AFN-002346 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar 3-Cl-phenyl | C21H22ClN5 | 379.9 | 4.29 | 44.3 | 0 | — | designed | |
| AFN-002347 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar 3-MeO-phenyl | C22H25N5O | 375.5 | 3.65 | 53.5 | 0 | — | designed | |
| AFN-002348 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar 2-MeO-phenyl | C22H25N5O | 375.5 | 3.65 | 53.5 | 0 | — | designed | |
| AFN-002349 | A | R1 4-Me-piperazin-1-yl · R2 H · Ar 3-CN-phenyl | C22H22N6 | 370.5 | 3.51 | 68.1 | 1 | 7.86 | 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