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-000400 | A | R1 F · R2 OMe · Ar Phenyl | C17H14FN3O | 295.3 | 4.03 | 47.0 | 0 | — | designed | |
| AFN-000401 | A | R1 F · R2 OMe · Ar Pyridin-3-yl | C16H13FN4O | 296.3 | 3.43 | 59.9 | 0 | — | designed | |
| AFN-000402 | A | R1 F · R2 OMe · Ar Pyridin-4-yl | C16H13FN4O | 296.3 | 3.43 | 59.9 | 0 | — | designed | |
| AFN-000403 | A | R1 F · R2 OMe · Ar Pyridin-2-yl | C16H13FN4O | 296.3 | 3.43 | 59.9 | 0 | — | designed | |
| AFN-000404 | A | R1 F · R2 OMe · Ar 3-F-phenyl | C17H13F2N3O | 313.3 | 4.17 | 47.0 | 0 | — | designed | |
| AFN-000405 | A | R1 F · R2 OMe · Ar 4-F-phenyl | C17H13F2N3O | 313.3 | 4.17 | 47.0 | 0 | — | designed | |
| AFN-000406 | A | R1 F · R2 OMe · Ar 3-Cl-phenyl | C17H13ClFN3O | 329.8 | 4.69 | 47.0 | 0 | — | designed | |
| AFN-000407 | A | R1 F · R2 OMe · Ar 3-MeO-phenyl | C18H16FN3O2 | 325.3 | 4.04 | 56.3 | 0 | — | designed | |
| AFN-000408 | A | R1 F · R2 OMe · Ar 2-MeO-phenyl | C18H16FN3O2 | 325.3 | 4.04 | 56.3 | 0 | — | designed | |
| AFN-000409 | A | R1 F · R2 OMe · Ar 3-CN-phenyl | C18H13FN4O | 320.3 | 3.91 | 70.8 | 1 | 7.39 | tested | |
| AFN-000410 | A | R1 F · R2 OMe · Ar 3,5-diF-phenyl | C17H12F3N3O | 331.3 | 4.31 | 47.0 | 0 | — | designed | |
| AFN-000411 | A | R1 F · R2 OMe · Ar Thiophen-2-yl | C15H12FN3OS | 301.4 | 4.10 | 47.0 | 0 | — | designed | |
| AFN-000412 | A | R1 F · R2 OMe · Ar Thiophen-3-yl | C15H12FN3OS | 301.4 | 4.10 | 47.0 | 0 | — | designed | |
| AFN-000413 | A | R1 F · R2 OMe · Ar Furan-3-yl | C15H12FN3O2 | 285.3 | 3.63 | 60.2 | 0 | — | designed | |
| AFN-000414 | A | R1 F · R2 OMe · Ar 1-Me-pyrazol-4-yl | C15H14FN5O | 299.3 | 2.77 | 64.9 | 0 | — | designed | |
| AFN-000415 | A | R1 F · R2 OMe · Ar 1-Me-indol-3-yl | C20H17FN4O | 348.4 | 4.53 | 52.0 | 0 | — | designed | |
| AFN-000416 | A | R1 F · R2 OMe · Ar Naphthalen-2-yl | C21H16FN3O | 345.4 | 5.19 | 47.0 | 0 | — | designed | |
| AFN-000417 | A | R1 F · R2 OMe · Ar Pyrimidin-5-yl | C15H12FN5O | 297.3 | 2.82 | 72.8 | 0 | — | designed | |
| AFN-000418 | A | R1 F · R2 OMe · Ar Quinolin-3-yl | C20H15FN4O | 346.4 | 4.58 | 59.9 | 0 | — | designed | |
| AFN-000419 | A | R1 F · R2 OMe · Ar 6-MeO-pyridin-3-yl | C17H15FN4O2 | 326.3 | 3.44 | 69.2 | 0 | — | designed | |
| AFN-000420 | A | R1 Cl · R2 H · Ar Phenyl | C16H12ClN3 | 281.8 | 4.54 | 37.8 | 0 | — | designed | |
| AFN-000421 | A | R1 Cl · R2 H · Ar Pyridin-3-yl | C15H11ClN4 | 282.7 | 3.94 | 50.7 | 0 | — | designed | |
| AFN-000422 | A | R1 Cl · R2 H · Ar Pyridin-4-yl | C15H11ClN4 | 282.7 | 3.94 | 50.7 | 0 | — | designed | |
| AFN-000423 | A | R1 Cl · R2 H · Ar Pyridin-2-yl | C15H11ClN4 | 282.7 | 3.94 | 50.7 | 0 | — | designed | |
| AFN-000424 | A | R1 Cl · R2 H · Ar 3-F-phenyl | C16H11ClFN3 | 299.7 | 4.68 | 37.8 | 1 | 7.33 | tested | |
| AFN-000425 | A | R1 Cl · R2 H · Ar 4-F-phenyl | C16H11ClFN3 | 299.7 | 4.68 | 37.8 | 0 | — | designed | |
| AFN-000426 | A | R1 Cl · R2 H · Ar 3-Cl-phenyl | C16H11Cl2N3 | 316.2 | 5.19 | 37.8 | 0 | — | designed | |
| AFN-000427 | A | R1 Cl · R2 H · Ar 3-MeO-phenyl | C17H14ClN3O | 311.8 | 4.55 | 47.0 | 0 | — | designed | |
| AFN-000428 | A | R1 Cl · R2 H · Ar 2-MeO-phenyl | C17H14ClN3O | 311.8 | 4.55 | 47.0 | 0 | — | designed | |
| AFN-000429 | A | R1 Cl · R2 H · Ar 3-CN-phenyl | C17H11ClN4 | 306.8 | 4.41 | 61.6 | 0 | — | designed | |
| AFN-000430 | A | R1 Cl · R2 H · Ar 3,5-diF-phenyl | C16H10ClF2N3 | 317.7 | 4.82 | 37.8 | 1 | 7.47 | tested | |
| AFN-000431 | A | R1 Cl · R2 H · Ar Thiophen-2-yl | C14H10ClN3S | 287.8 | 4.60 | 37.8 | 0 | — | designed | |
| AFN-000432 | A | R1 Cl · R2 H · Ar Thiophen-3-yl | C14H10ClN3S | 287.8 | 4.60 | 37.8 | 0 | — | designed | |
| AFN-000433 | A | R1 Cl · R2 H · Ar Furan-3-yl | C14H10ClN3O | 271.7 | 4.13 | 51.0 | 0 | — | designed | |
| AFN-000434 | A | R1 Cl · R2 H · Ar 1-Me-pyrazol-4-yl | C14H12ClN5 | 285.7 | 3.27 | 55.6 | 0 | — | designed | |
| AFN-000435 | A | R1 Cl · R2 H · Ar 1-Me-indol-3-yl | C19H15ClN4 | 334.8 | 5.03 | 42.7 | 0 | — | designed | |
| AFN-000436 | A | R1 Cl · R2 H · Ar Naphthalen-2-yl | C20H14ClN3 | 331.8 | 5.69 | 37.8 | 0 | — | designed | |
| AFN-000437 | A | R1 Cl · R2 H · Ar Pyrimidin-5-yl | C14H10ClN5 | 283.7 | 3.33 | 63.6 | 0 | — | designed | |
| AFN-000438 | A | R1 Cl · R2 H · Ar Quinolin-3-yl | C19H13ClN4 | 332.8 | 5.09 | 50.7 | 0 | — | designed | |
| AFN-000439 | A | R1 Cl · R2 H · Ar 6-MeO-pyridin-3-yl | C16H13ClN4O | 312.8 | 3.94 | 59.9 | 0 | — | designed | |
| AFN-000440 | A | R1 Cl · R2 Me · Ar Phenyl | C17H14ClN3 | 295.8 | 4.85 | 37.8 | 0 | — | designed | |
| AFN-000441 | A | R1 Cl · R2 Me · Ar Pyridin-3-yl | C16H13ClN4 | 296.8 | 4.24 | 50.7 | 0 | — | designed | |
| AFN-000442 | A | R1 Cl · R2 Me · Ar Pyridin-4-yl | C16H13ClN4 | 296.8 | 4.24 | 50.7 | 0 | — | designed | |
| AFN-000443 | A | R1 Cl · R2 Me · Ar Pyridin-2-yl | C16H13ClN4 | 296.8 | 4.24 | 50.7 | 0 | — | designed | |
| AFN-000444 | A | R1 Cl · R2 Me · Ar 3-F-phenyl | C17H13ClFN3 | 313.8 | 4.99 | 37.8 | 0 | — | designed | |
| AFN-000445 | A | R1 Cl · R2 Me · Ar 4-F-phenyl | C17H13ClFN3 | 313.8 | 4.99 | 37.8 | 0 | — | designed | |
| AFN-000446 | A | R1 Cl · R2 Me · Ar 3-Cl-phenyl | C17H13Cl2N3 | 330.2 | 5.50 | 37.8 | 0 | — | designed | |
| AFN-000447 | A | R1 Cl · R2 Me · Ar 3-MeO-phenyl | C18H16ClN3O | 325.8 | 4.86 | 47.0 | 0 | — | designed | |
| AFN-000448 | A | R1 Cl · R2 Me · Ar 2-MeO-phenyl | C18H16ClN3O | 325.8 | 4.86 | 47.0 | 0 | — | designed | |
| AFN-000449 | A | R1 Cl · R2 Me · Ar 3-CN-phenyl | C18H13ClN4 | 320.8 | 4.72 | 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