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-001450 | A | R1 OMe · R2 Cl · Ar 3,5-diF-phenyl | C17H12ClF2N3O | 347.8 | 4.83 | 47.0 | 0 | — | designed | |
| AFN-001451 | A | R1 OMe · R2 Cl · Ar Thiophen-2-yl | C15H12ClN3OS | 317.8 | 4.61 | 47.0 | 0 | — | designed | |
| AFN-001452 | A | R1 OMe · R2 Cl · Ar Thiophen-3-yl | C15H12ClN3OS | 317.8 | 4.61 | 47.0 | 0 | — | designed | |
| AFN-001453 | A | R1 OMe · R2 Cl · Ar Furan-3-yl | C15H12ClN3O2 | 301.7 | 4.14 | 60.2 | 0 | — | designed | |
| AFN-001454 | A | R1 OMe · R2 Cl · Ar 1-Me-pyrazol-4-yl | C15H14ClN5O | 315.8 | 3.28 | 64.9 | 1 | 8.12 | tested | |
| AFN-001455 | A | R1 OMe · R2 Cl · Ar 1-Me-indol-3-yl | C20H17ClN4O | 364.8 | 5.04 | 52.0 | 0 | — | designed | |
| AFN-001456 | A | R1 OMe · R2 Cl · Ar Naphthalen-2-yl | C21H16ClN3O | 361.8 | 5.70 | 47.0 | 1 | 7.47 | tested | |
| AFN-001457 | A | R1 OMe · R2 Cl · Ar Pyrimidin-5-yl | C15H12ClN5O | 313.8 | 3.34 | 72.8 | 0 | — | designed | |
| AFN-001458 | A | R1 OMe · R2 Cl · Ar Quinolin-3-yl | C20H15ClN4O | 362.8 | 5.10 | 59.9 | 0 | — | designed | |
| AFN-001459 | A | R1 OMe · R2 Cl · Ar 6-MeO-pyridin-3-yl | C17H15ClN4O2 | 342.8 | 3.95 | 69.2 | 0 | — | designed | |
| AFN-001460 | A | R1 OMe · R2 Br · Ar Phenyl | C17H14BrN3O | 356.2 | 4.66 | 47.0 | 0 | — | designed | |
| AFN-001461 | A | R1 OMe · R2 Br · Ar Pyridin-3-yl | C16H13BrN4O | 357.2 | 4.05 | 59.9 | 1 | 7.93 | tested | |
| AFN-001462 | A | R1 OMe · R2 Br · Ar Pyridin-4-yl | C16H13BrN4O | 357.2 | 4.05 | 59.9 | 0 | — | designed | |
| AFN-001463 | A | R1 OMe · R2 Br · Ar Pyridin-2-yl | C16H13BrN4O | 357.2 | 4.05 | 59.9 | 0 | — | designed | |
| AFN-001464 | A | R1 OMe · R2 Br · Ar 3-F-phenyl | C17H13BrFN3O | 374.2 | 4.80 | 47.0 | 0 | — | designed | |
| AFN-001465 | A | R1 OMe · R2 Br · Ar 4-F-phenyl | C17H13BrFN3O | 374.2 | 4.80 | 47.0 | 0 | — | designed | |
| AFN-001466 | A | R1 OMe · R2 Br · Ar 3-Cl-phenyl | C17H13BrClN3O | 390.7 | 5.31 | 47.0 | 0 | — | designed | |
| AFN-001467 | A | R1 OMe · R2 Br · Ar 3-MeO-phenyl | C18H16BrN3O2 | 386.3 | 4.67 | 56.3 | 0 | — | designed | |
| AFN-001468 | A | R1 OMe · R2 Br · Ar 2-MeO-phenyl | C18H16BrN3O2 | 386.3 | 4.67 | 56.3 | 0 | — | designed | |
| AFN-001469 | A | R1 OMe · R2 Br · Ar 3-CN-phenyl | C18H13BrN4O | 381.2 | 4.53 | 70.8 | 0 | — | designed | |
| AFN-001470 | A | R1 OMe · R2 Br · Ar 3,5-diF-phenyl | C17H12BrF2N3O | 392.2 | 4.94 | 47.0 | 0 | — | designed | |
| AFN-001471 | A | R1 OMe · R2 Br · Ar Thiophen-2-yl | C15H12BrN3OS | 362.3 | 4.72 | 47.0 | 0 | — | designed | |
| AFN-001472 | A | R1 OMe · R2 Br · Ar Thiophen-3-yl | C15H12BrN3OS | 362.3 | 4.72 | 47.0 | 1 | 7.46 | tested | |
| AFN-001473 | A | R1 OMe · R2 Br · Ar Furan-3-yl | C15H12BrN3O2 | 346.2 | 4.25 | 60.2 | 0 | — | designed | |
| AFN-001474 | A | R1 OMe · R2 Br · Ar 1-Me-pyrazol-4-yl | C15H14BrN5O | 360.2 | 3.39 | 64.9 | 0 | — | designed | |
| AFN-001475 | A | R1 OMe · R2 Br · Ar 1-Me-indol-3-yl | C20H17BrN4O | 409.3 | 5.15 | 52.0 | 0 | — | designed | |
| AFN-001476 | A | R1 OMe · R2 Br · Ar Naphthalen-2-yl | C21H16BrN3O | 406.3 | 5.81 | 47.0 | 0 | — | designed | |
| AFN-001477 | A | R1 OMe · R2 Br · Ar Pyrimidin-5-yl | C15H12BrN5O | 358.2 | 3.45 | 72.8 | 0 | — | designed | |
| AFN-001478 | A | R1 OMe · R2 Br · Ar Quinolin-3-yl | C20H15BrN4O | 407.3 | 5.21 | 59.9 | 0 | — | designed | |
| AFN-001479 | A | R1 OMe · R2 Br · Ar 6-MeO-pyridin-3-yl | C17H15BrN4O2 | 387.2 | 4.06 | 69.2 | 1 | 7.99 | tested | |
| AFN-001480 | A | R1 OMe · R2 CF3 · Ar Phenyl | C18H14F3N3O | 345.3 | 4.91 | 47.0 | 0 | — | designed | |
| AFN-001481 | A | R1 OMe · R2 CF3 · Ar Pyridin-3-yl | C17H13F3N4O | 346.3 | 4.31 | 59.9 | 0 | — | designed | |
| AFN-001482 | A | R1 OMe · R2 CF3 · Ar Pyridin-4-yl | C17H13F3N4O | 346.3 | 4.31 | 59.9 | 0 | — | designed | |
| AFN-001483 | A | R1 OMe · R2 CF3 · Ar Pyridin-2-yl | C17H13F3N4O | 346.3 | 4.31 | 59.9 | 0 | — | designed | |
| AFN-001484 | A | R1 OMe · R2 CF3 · Ar 3-F-phenyl | C18H13F4N3O | 363.3 | 5.05 | 47.0 | 0 | — | designed | |
| AFN-001485 | A | R1 OMe · R2 CF3 · Ar 4-F-phenyl | C18H13F4N3O | 363.3 | 5.05 | 47.0 | 0 | — | designed | |
| AFN-001486 | A | R1 OMe · R2 CF3 · Ar 3-Cl-phenyl | C18H13ClF3N3O | 379.8 | 5.57 | 47.0 | 0 | — | designed | |
| AFN-001487 | A | R1 OMe · R2 CF3 · Ar 3-MeO-phenyl | C19H16F3N3O2 | 375.4 | 4.92 | 56.3 | 0 | — | designed | |
| AFN-001488 | A | R1 OMe · R2 CF3 · Ar 2-MeO-phenyl | C19H16F3N3O2 | 375.4 | 4.92 | 56.3 | 0 | — | designed | |
| AFN-001489 | A | R1 OMe · R2 CF3 · Ar 3-CN-phenyl | C19H13F3N4O | 370.3 | 4.79 | 70.8 | 0 | — | designed | |
| AFN-001490 | A | R1 OMe · R2 CF3 · Ar 3,5-diF-phenyl | C18H12F5N3O | 381.3 | 5.19 | 47.0 | 0 | — | designed | |
| AFN-001491 | A | R1 OMe · R2 CF3 · Ar Thiophen-2-yl | C16H12F3N3OS | 351.4 | 4.98 | 47.0 | 0 | — | designed | |
| AFN-001492 | A | R1 OMe · R2 CF3 · Ar Thiophen-3-yl | C16H12F3N3OS | 351.4 | 4.98 | 47.0 | 0 | — | designed | |
| AFN-001493 | A | R1 OMe · R2 CF3 · Ar Furan-3-yl | C16H12F3N3O2 | 335.3 | 4.51 | 60.2 | 0 | — | designed | |
| AFN-001494 | A | R1 OMe · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C16H14F3N5O | 349.3 | 3.65 | 64.9 | 0 | — | designed | |
| AFN-001495 | A | R1 OMe · R2 CF3 · Ar 1-Me-indol-3-yl | C21H17F3N4O | 398.4 | 5.41 | 52.0 | 0 | — | designed | |
| AFN-001496 | A | R1 OMe · R2 CF3 · Ar Naphthalen-2-yl | C22H16F3N3O | 395.4 | 6.07 | 47.0 | 0 | — | designed | |
| AFN-001497 | A | R1 OMe · R2 CF3 · Ar Pyrimidin-5-yl | C16H12F3N5O | 347.3 | 3.70 | 72.8 | 0 | — | designed | |
| AFN-001498 | A | R1 OMe · R2 CF3 · Ar Quinolin-3-yl | C21H15F3N4O | 396.4 | 5.46 | 59.9 | 0 | — | designed | |
| AFN-001499 | A | R1 OMe · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C18H15F3N4O2 | 376.3 | 4.32 | 69.2 | 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