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-000550 | A | R1 Cl · R2 CN · Ar 3,5-diF-phenyl | C17H9ClF2N4 | 342.7 | 4.69 | 61.6 | 0 | — | designed | |
| AFN-000551 | A | R1 Cl · R2 CN · Ar Thiophen-2-yl | C15H9ClN4S | 312.8 | 4.47 | 61.6 | 1 | 7.41 | tested | |
| AFN-000552 | A | R1 Cl · R2 CN · Ar Thiophen-3-yl | C15H9ClN4S | 312.8 | 4.47 | 61.6 | 0 | — | designed | |
| AFN-000553 | A | R1 Cl · R2 CN · Ar Furan-3-yl | C15H9ClN4O | 296.7 | 4.01 | 74.7 | 1 | 7.37 | tested | |
| AFN-000554 | A | R1 Cl · R2 CN · Ar 1-Me-pyrazol-4-yl | C15H11ClN6 | 310.8 | 3.15 | 79.4 | 0 | — | designed | |
| AFN-000555 | A | R1 Cl · R2 CN · Ar 1-Me-indol-3-yl | C20H14ClN5 | 359.8 | 4.90 | 66.5 | 1 | 7.37 | tested | |
| AFN-000556 | A | R1 Cl · R2 CN · Ar Naphthalen-2-yl | C21H13ClN4 | 356.8 | 5.57 | 61.6 | 0 | — | designed | |
| AFN-000557 | A | R1 Cl · R2 CN · Ar Pyrimidin-5-yl | C15H9ClN6 | 308.7 | 3.20 | 87.4 | 0 | — | designed | |
| AFN-000558 | A | R1 Cl · R2 CN · Ar Quinolin-3-yl | C20H12ClN5 | 357.8 | 4.96 | 74.5 | 0 | — | designed | |
| AFN-000559 | A | R1 Cl · R2 CN · Ar 6-MeO-pyridin-3-yl | C17H12ClN5O | 337.8 | 3.82 | 83.7 | 0 | — | designed | |
| AFN-000560 | A | R1 Cl · R2 OMe · Ar Phenyl | C17H14ClN3O | 311.8 | 4.55 | 47.0 | 0 | — | designed | |
| AFN-000561 | A | R1 Cl · R2 OMe · Ar Pyridin-3-yl | C16H13ClN4O | 312.8 | 3.94 | 59.9 | 0 | — | designed | |
| AFN-000562 | A | R1 Cl · R2 OMe · Ar Pyridin-4-yl | C16H13ClN4O | 312.8 | 3.94 | 59.9 | 0 | — | designed | |
| AFN-000563 | A | R1 Cl · R2 OMe · Ar Pyridin-2-yl | C16H13ClN4O | 312.8 | 3.94 | 59.9 | 0 | — | designed | |
| AFN-000564 | A | R1 Cl · R2 OMe · Ar 3-F-phenyl | C17H13ClFN3O | 329.8 | 4.69 | 47.0 | 0 | — | designed | |
| AFN-000565 | A | R1 Cl · R2 OMe · Ar 4-F-phenyl | C17H13ClFN3O | 329.8 | 4.69 | 47.0 | 0 | — | designed | |
| AFN-000566 | A | R1 Cl · R2 OMe · Ar 3-Cl-phenyl | C17H13Cl2N3O | 346.2 | 5.20 | 47.0 | 1 | 7.50 | tested | |
| AFN-000567 | A | R1 Cl · R2 OMe · Ar 3-MeO-phenyl | C18H16ClN3O2 | 341.8 | 4.56 | 56.3 | 0 | — | designed | |
| AFN-000568 | A | R1 Cl · R2 OMe · Ar 2-MeO-phenyl | C18H16ClN3O2 | 341.8 | 4.56 | 56.3 | 0 | — | designed | |
| AFN-000569 | A | R1 Cl · R2 OMe · Ar 3-CN-phenyl | C18H13ClN4O | 336.8 | 4.42 | 70.8 | 0 | — | designed | |
| AFN-000570 | A | R1 Cl · R2 OMe · Ar 3,5-diF-phenyl | C17H12ClF2N3O | 347.8 | 4.83 | 47.0 | 0 | — | designed | |
| AFN-000571 | A | R1 Cl · R2 OMe · Ar Thiophen-2-yl | C15H12ClN3OS | 317.8 | 4.61 | 47.0 | 0 | — | designed | |
| AFN-000572 | A | R1 Cl · R2 OMe · Ar Thiophen-3-yl | C15H12ClN3OS | 317.8 | 4.61 | 47.0 | 0 | — | designed | |
| AFN-000573 | A | R1 Cl · R2 OMe · Ar Furan-3-yl | C15H12ClN3O2 | 301.7 | 4.14 | 60.2 | 0 | — | designed | |
| AFN-000574 | A | R1 Cl · R2 OMe · Ar 1-Me-pyrazol-4-yl | C15H14ClN5O | 315.8 | 3.28 | 64.9 | 0 | — | designed | |
| AFN-000575 | A | R1 Cl · R2 OMe · Ar 1-Me-indol-3-yl | C20H17ClN4O | 364.8 | 5.04 | 52.0 | 0 | — | designed | |
| AFN-000576 | A | R1 Cl · R2 OMe · Ar Naphthalen-2-yl | C21H16ClN3O | 361.8 | 5.70 | 47.0 | 1 | 6.91 | tested | |
| AFN-000577 | A | R1 Cl · R2 OMe · Ar Pyrimidin-5-yl | C15H12ClN5O | 313.8 | 3.34 | 72.8 | 0 | — | designed | |
| AFN-000578 | A | R1 Cl · R2 OMe · Ar Quinolin-3-yl | C20H15ClN4O | 362.8 | 5.10 | 59.9 | 0 | — | designed | |
| AFN-000579 | A | R1 Cl · R2 OMe · Ar 6-MeO-pyridin-3-yl | C17H15ClN4O2 | 342.8 | 3.95 | 69.2 | 0 | — | designed | |
| AFN-000580 | A | R1 Br · R2 H · Ar Phenyl | C16H12BrN3 | 326.2 | 4.65 | 37.8 | 0 | — | designed | |
| AFN-000581 | A | R1 Br · R2 H · Ar Pyridin-3-yl | C15H11BrN4 | 327.2 | 4.04 | 50.7 | 0 | — | designed | |
| AFN-000582 | A | R1 Br · R2 H · Ar Pyridin-4-yl | C15H11BrN4 | 327.2 | 4.04 | 50.7 | 1 | 7.09 | tested | |
| AFN-000583 | A | R1 Br · R2 H · Ar Pyridin-2-yl | C15H11BrN4 | 327.2 | 4.04 | 50.7 | 0 | — | designed | |
| AFN-000584 | A | R1 Br · R2 H · Ar 3-F-phenyl | C16H11BrFN3 | 344.2 | 4.79 | 37.8 | 0 | — | designed | |
| AFN-000585 | A | R1 Br · R2 H · Ar 4-F-phenyl | C16H11BrFN3 | 344.2 | 4.79 | 37.8 | 0 | — | designed | |
| AFN-000586 | A | R1 Br · R2 H · Ar 3-Cl-phenyl | C16H11BrClN3 | 360.6 | 5.30 | 37.8 | 0 | — | designed | |
| AFN-000587 | A | R1 Br · R2 H · Ar 3-MeO-phenyl | C17H14BrN3O | 356.2 | 4.66 | 47.0 | 0 | — | designed | |
| AFN-000588 | A | R1 Br · R2 H · Ar 2-MeO-phenyl | C17H14BrN3O | 356.2 | 4.66 | 47.0 | 0 | — | designed | |
| AFN-000589 | A | R1 Br · R2 H · Ar 3-CN-phenyl | C17H11BrN4 | 351.2 | 4.52 | 61.6 | 0 | — | designed | |
| AFN-000590 | A | R1 Br · R2 H · Ar 3,5-diF-phenyl | C16H10BrF2N3 | 362.2 | 4.93 | 37.8 | 0 | — | designed | |
| AFN-000591 | A | R1 Br · R2 H · Ar Thiophen-2-yl | C14H10BrN3S | 332.2 | 4.71 | 37.8 | 0 | — | designed | |
| AFN-000592 | A | R1 Br · R2 H · Ar Thiophen-3-yl | C14H10BrN3S | 332.2 | 4.71 | 37.8 | 0 | — | designed | |
| AFN-000593 | A | R1 Br · R2 H · Ar Furan-3-yl | C14H10BrN3O | 316.2 | 4.24 | 51.0 | 0 | — | designed | |
| AFN-000594 | A | R1 Br · R2 H · Ar 1-Me-pyrazol-4-yl | C14H12BrN5 | 330.2 | 3.38 | 55.6 | 0 | — | designed | |
| AFN-000595 | A | R1 Br · R2 H · Ar 1-Me-indol-3-yl | C19H15BrN4 | 379.3 | 5.14 | 42.7 | 1 | 7.32 | tested | |
| AFN-000596 | A | R1 Br · R2 H · Ar Naphthalen-2-yl | C20H14BrN3 | 376.3 | 5.80 | 37.8 | 0 | — | designed | |
| AFN-000597 | A | R1 Br · R2 H · Ar Pyrimidin-5-yl | C14H10BrN5 | 328.2 | 3.44 | 63.6 | 0 | — | designed | |
| AFN-000598 | A | R1 Br · R2 H · Ar Quinolin-3-yl | C19H13BrN4 | 377.3 | 5.20 | 50.7 | 0 | — | designed | |
| AFN-000599 | A | R1 Br · R2 H · Ar 6-MeO-pyridin-3-yl | C16H13BrN4O | 357.2 | 4.05 | 59.9 | 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