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-000450 | A | R1 Cl · R2 Me · Ar 3,5-diF-phenyl | C17H12ClF2N3 | 331.8 | 5.13 | 37.8 | 0 | — | designed | |
| AFN-000451 | A | R1 Cl · R2 Me · Ar Thiophen-2-yl | C15H12ClN3S | 301.8 | 4.91 | 37.8 | 0 | — | designed | |
| AFN-000452 | A | R1 Cl · R2 Me · Ar Thiophen-3-yl | C15H12ClN3S | 301.8 | 4.91 | 37.8 | 0 | — | designed | |
| AFN-000453 | A | R1 Cl · R2 Me · Ar Furan-3-yl | C15H12ClN3O | 285.7 | 4.44 | 51.0 | 1 | 7.66 | tested | |
| AFN-000454 | A | R1 Cl · R2 Me · Ar 1-Me-pyrazol-4-yl | C15H14ClN5 | 299.8 | 3.58 | 55.6 | 1 | 8.12 | tested | |
| AFN-000455 | A | R1 Cl · R2 Me · Ar 1-Me-indol-3-yl | C20H17ClN4 | 348.8 | 5.34 | 42.7 | 1 | 7.71 | tested | |
| AFN-000456 | A | R1 Cl · R2 Me · Ar Naphthalen-2-yl | C21H16ClN3 | 345.8 | 6.00 | 37.8 | 0 | — | designed | |
| AFN-000457 | A | R1 Cl · R2 Me · Ar Pyrimidin-5-yl | C15H12ClN5 | 297.8 | 3.64 | 63.6 | 0 | — | designed | |
| AFN-000458 | A | R1 Cl · R2 Me · Ar Quinolin-3-yl | C20H15ClN4 | 346.8 | 5.40 | 50.7 | 0 | — | designed | |
| AFN-000459 | A | R1 Cl · R2 Me · Ar 6-MeO-pyridin-3-yl | C17H15ClN4O | 326.8 | 4.25 | 59.9 | 0 | — | designed | |
| AFN-000460 | A | R1 Cl · R2 F · Ar Phenyl | C16H11ClFN3 | 299.7 | 4.68 | 37.8 | 0 | — | designed | |
| AFN-000461 | A | R1 Cl · R2 F · Ar Pyridin-3-yl | C15H10ClFN4 | 300.7 | 4.07 | 50.7 | 1 | 7.97 | tested | |
| AFN-000462 | A | R1 Cl · R2 F · Ar Pyridin-4-yl | C15H10ClFN4 | 300.7 | 4.07 | 50.7 | 0 | — | designed | |
| AFN-000463 | A | R1 Cl · R2 F · Ar Pyridin-2-yl | C15H10ClFN4 | 300.7 | 4.07 | 50.7 | 0 | — | designed | |
| AFN-000464 | A | R1 Cl · R2 F · Ar 3-F-phenyl | C16H10ClF2N3 | 317.7 | 4.82 | 37.8 | 0 | — | designed | |
| AFN-000465 | A | R1 Cl · R2 F · Ar 4-F-phenyl | C16H10ClF2N3 | 317.7 | 4.82 | 37.8 | 0 | — | designed | |
| AFN-000466 | A | R1 Cl · R2 F · Ar 3-Cl-phenyl | C16H10Cl2FN3 | 334.2 | 5.33 | 37.8 | 0 | — | designed | |
| AFN-000467 | A | R1 Cl · R2 F · Ar 3-MeO-phenyl | C17H13ClFN3O | 329.8 | 4.69 | 47.0 | 0 | — | designed | |
| AFN-000468 | A | R1 Cl · R2 F · Ar 2-MeO-phenyl | C17H13ClFN3O | 329.8 | 4.69 | 47.0 | 0 | — | designed | |
| AFN-000469 | A | R1 Cl · R2 F · Ar 3-CN-phenyl | C17H10ClFN4 | 324.8 | 4.55 | 61.6 | 0 | — | designed | |
| AFN-000470 | A | R1 Cl · R2 F · Ar 3,5-diF-phenyl | C16H9ClF3N3 | 335.7 | 4.96 | 37.8 | 0 | — | designed | |
| AFN-000471 | A | R1 Cl · R2 F · Ar Thiophen-2-yl | C14H9ClFN3S | 305.8 | 4.74 | 37.8 | 0 | — | designed | |
| AFN-000472 | A | R1 Cl · R2 F · Ar Thiophen-3-yl | C14H9ClFN3S | 305.8 | 4.74 | 37.8 | 0 | — | designed | |
| AFN-000473 | A | R1 Cl · R2 F · Ar Furan-3-yl | C14H9ClFN3O | 289.7 | 4.27 | 51.0 | 0 | — | designed | |
| AFN-000474 | A | R1 Cl · R2 F · Ar 1-Me-pyrazol-4-yl | C14H11ClFN5 | 303.7 | 3.41 | 55.6 | 0 | — | designed | |
| AFN-000475 | A | R1 Cl · R2 F · Ar 1-Me-indol-3-yl | C19H14ClFN4 | 352.8 | 5.17 | 42.7 | 0 | — | designed | |
| AFN-000476 | A | R1 Cl · R2 F · Ar Naphthalen-2-yl | C20H13ClFN3 | 349.8 | 5.83 | 37.8 | 0 | — | designed | |
| AFN-000477 | A | R1 Cl · R2 F · Ar Pyrimidin-5-yl | C14H9ClFN5 | 301.7 | 3.47 | 63.6 | 1 | 7.72 | tested | |
| AFN-000478 | A | R1 Cl · R2 F · Ar Quinolin-3-yl | C19H12ClFN4 | 350.8 | 5.23 | 50.7 | 0 | — | designed | |
| AFN-000479 | A | R1 Cl · R2 F · Ar 6-MeO-pyridin-3-yl | C16H12ClFN4O | 330.8 | 4.08 | 59.9 | 1 | 7.85 | tested | |
| AFN-000480 | A | R1 Cl · R2 Cl · Ar Phenyl | C16H11Cl2N3 | 316.2 | 5.19 | 37.8 | 0 | — | designed | |
| AFN-000481 | A | R1 Cl · R2 Cl · Ar Pyridin-3-yl | C15H10Cl2N4 | 317.2 | 4.59 | 50.7 | 0 | — | designed | |
| AFN-000482 | A | R1 Cl · R2 Cl · Ar Pyridin-4-yl | C15H10Cl2N4 | 317.2 | 4.59 | 50.7 | 0 | — | designed | |
| AFN-000483 | A | R1 Cl · R2 Cl · Ar Pyridin-2-yl | C15H10Cl2N4 | 317.2 | 4.59 | 50.7 | 0 | — | designed | |
| AFN-000484 | A | R1 Cl · R2 Cl · Ar 3-F-phenyl | C16H10Cl2FN3 | 334.2 | 5.33 | 37.8 | 1 | 7.61 | tested | |
| AFN-000485 | A | R1 Cl · R2 Cl · Ar 4-F-phenyl | C16H10Cl2FN3 | 334.2 | 5.33 | 37.8 | 0 | — | designed | |
| AFN-000486 | A | R1 Cl · R2 Cl · Ar 3-Cl-phenyl | C16H10Cl3N3 | 350.6 | 5.85 | 37.8 | 0 | — | designed | |
| AFN-000487 | A | R1 Cl · R2 Cl · Ar 3-MeO-phenyl | C17H13Cl2N3O | 346.2 | 5.20 | 47.0 | 0 | — | designed | |
| AFN-000488 | A | R1 Cl · R2 Cl · Ar 2-MeO-phenyl | C17H13Cl2N3O | 346.2 | 5.20 | 47.0 | 1 | — | tested | |
| AFN-000489 | A | R1 Cl · R2 Cl · Ar 3-CN-phenyl | C17H10Cl2N4 | 341.2 | 5.07 | 61.6 | 0 | — | designed | |
| AFN-000490 | A | R1 Cl · R2 Cl · Ar 3,5-diF-phenyl | C16H9Cl2F2N3 | 352.2 | 5.47 | 37.8 | 1 | 7.78 | tested | |
| AFN-000491 | A | R1 Cl · R2 Cl · Ar Thiophen-2-yl | C14H9Cl2N3S | 322.2 | 5.26 | 37.8 | 0 | — | designed | |
| AFN-000492 | A | R1 Cl · R2 Cl · Ar Thiophen-3-yl | C14H9Cl2N3S | 322.2 | 5.26 | 37.8 | 0 | — | designed | |
| AFN-000493 | A | R1 Cl · R2 Cl · Ar Furan-3-yl | C14H9Cl2N3O | 306.1 | 4.79 | 51.0 | 1 | 7.47 | tested | |
| AFN-000494 | A | R1 Cl · R2 Cl · Ar 1-Me-pyrazol-4-yl | C14H11Cl2N5 | 320.2 | 3.93 | 55.6 | 0 | — | designed | |
| AFN-000495 | A | R1 Cl · R2 Cl · Ar 1-Me-indol-3-yl | C19H14Cl2N4 | 369.3 | 5.69 | 42.7 | 0 | — | designed | |
| AFN-000496 | A | R1 Cl · R2 Cl · Ar Naphthalen-2-yl | C20H13Cl2N3 | 366.3 | 6.35 | 37.8 | 0 | — | designed | |
| AFN-000497 | A | R1 Cl · R2 Cl · Ar Pyrimidin-5-yl | C14H9Cl2N5 | 318.2 | 3.98 | 63.6 | 1 | 7.95 | tested | |
| AFN-000498 | A | R1 Cl · R2 Cl · Ar Quinolin-3-yl | C19H12Cl2N4 | 367.2 | 5.74 | 50.7 | 0 | — | designed | |
| AFN-000499 | A | R1 Cl · R2 Cl · Ar 6-MeO-pyridin-3-yl | C16H12Cl2N4O | 347.2 | 4.60 | 59.9 | 1 | 8.00 | 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