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-002450 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar 3,5-diF-phenyl | C22H20F5N5 | 449.4 | 4.94 | 44.3 | 0 | — | designed | |
| AFN-002451 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar Thiophen-2-yl | C20H20F3N5S | 419.5 | 4.72 | 44.3 | 0 | — | designed | |
| AFN-002452 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar Thiophen-3-yl | C20H20F3N5S | 419.5 | 4.72 | 44.3 | 0 | — | designed | |
| AFN-002453 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar Furan-3-yl | C20H20F3N5O | 403.4 | 4.25 | 57.4 | 0 | — | designed | |
| AFN-002454 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C20H22F3N7 | 417.4 | 3.39 | 62.1 | 0 | — | designed | |
| AFN-002455 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar 1-Me-indol-3-yl | C25H25F3N6 | 466.5 | 5.15 | 49.2 | 0 | — | designed | |
| AFN-002456 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar Naphthalen-2-yl | C26H24F3N5 | 463.5 | 5.81 | 44.3 | 0 | — | designed | |
| AFN-002457 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar Pyrimidin-5-yl | C20H20F3N7 | 415.4 | 3.45 | 70.1 | 0 | — | designed | |
| AFN-002458 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar Quinolin-3-yl | C25H23F3N6 | 464.5 | 5.21 | 57.2 | 0 | — | designed | |
| AFN-002459 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C22H23F3N6O | 444.5 | 4.06 | 66.4 | 0 | — | designed | |
| AFN-002460 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar Phenyl | C22H22N6 | 370.5 | 3.51 | 68.1 | 0 | — | designed | |
| AFN-002461 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar Pyridin-3-yl | C21H21N7 | 371.4 | 2.91 | 81.0 | 0 | — | designed | |
| AFN-002462 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar Pyridin-4-yl | C21H21N7 | 371.4 | 2.91 | 81.0 | 0 | — | designed | |
| AFN-002463 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar Pyridin-2-yl | C21H21N7 | 371.4 | 2.91 | 81.0 | 1 | 7.14 | tested | |
| AFN-002464 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar 3-F-phenyl | C22H21FN6 | 388.4 | 3.65 | 68.1 | 0 | — | designed | |
| AFN-002465 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar 4-F-phenyl | C22H21FN6 | 388.4 | 3.65 | 68.1 | 0 | — | designed | |
| AFN-002466 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar 3-Cl-phenyl | C22H21ClN6 | 404.9 | 4.16 | 68.1 | 0 | — | designed | |
| AFN-002467 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar 3-MeO-phenyl | C23H24N6O | 400.5 | 3.52 | 77.3 | 0 | — | designed | |
| AFN-002468 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar 2-MeO-phenyl | C23H24N6O | 400.5 | 3.52 | 77.3 | 0 | — | designed | |
| AFN-002469 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar 3-CN-phenyl | C23H21N7 | 395.5 | 3.38 | 91.9 | 0 | — | designed | |
| AFN-002470 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar 3,5-diF-phenyl | C22H20F2N6 | 406.4 | 3.79 | 68.1 | 1 | 7.60 | tested | |
| AFN-002471 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar Thiophen-2-yl | C20H20N6S | 376.5 | 3.57 | 68.1 | 0 | — | designed | |
| AFN-002472 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar Thiophen-3-yl | C20H20N6S | 376.5 | 3.57 | 68.1 | 0 | — | designed | |
| AFN-002473 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar Furan-3-yl | C20H20N6O | 360.4 | 3.10 | 81.2 | 0 | — | designed | |
| AFN-002474 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar 1-Me-pyrazol-4-yl | C20H22N8 | 374.4 | 2.24 | 85.9 | 0 | — | designed | |
| AFN-002475 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar 1-Me-indol-3-yl | C25H25N7 | 423.5 | 4.00 | 73.0 | 0 | — | designed | |
| AFN-002476 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar Naphthalen-2-yl | C26H24N6 | 420.5 | 4.66 | 68.1 | 0 | — | designed | |
| AFN-002477 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar Pyrimidin-5-yl | C20H20N8 | 372.4 | 2.30 | 93.9 | 0 | — | designed | |
| AFN-002478 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar Quinolin-3-yl | C25H23N7 | 421.5 | 4.06 | 81.0 | 0 | — | designed | |
| AFN-002479 | A | R1 4-Me-piperazin-1-yl · R2 CN · Ar 6-MeO-pyridin-3-yl | C22H23N7O | 401.5 | 2.91 | 90.2 | 0 | — | designed | |
| AFN-002480 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar Phenyl | C22H25N5O | 375.5 | 3.65 | 53.5 | 0 | — | designed | |
| AFN-002481 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar Pyridin-3-yl | C21H24N6O | 376.5 | 3.04 | 66.4 | 0 | — | designed | |
| AFN-002482 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar Pyridin-4-yl | C21H24N6O | 376.5 | 3.04 | 66.4 | 0 | — | designed | |
| AFN-002483 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar Pyridin-2-yl | C21H24N6O | 376.5 | 3.04 | 66.4 | 0 | — | designed | |
| AFN-002484 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar 3-F-phenyl | C22H24FN5O | 393.5 | 3.79 | 53.5 | 0 | — | designed | |
| AFN-002485 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar 4-F-phenyl | C22H24FN5O | 393.5 | 3.79 | 53.5 | 0 | — | designed | |
| AFN-002486 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar 3-Cl-phenyl | C22H24ClN5O | 409.9 | 4.30 | 53.5 | 0 | — | designed | |
| AFN-002487 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar 3-MeO-phenyl | C23H27N5O2 | 405.5 | 3.66 | 62.8 | 0 | — | designed | |
| AFN-002488 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar 2-MeO-phenyl | C23H27N5O2 | 405.5 | 3.66 | 62.8 | 0 | — | designed | |
| AFN-002489 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar 3-CN-phenyl | C23H24N6O | 400.5 | 3.52 | 77.3 | 0 | — | designed | |
| AFN-002490 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar 3,5-diF-phenyl | C22H23F2N5O | 411.5 | 3.93 | 53.5 | 0 | — | designed | |
| AFN-002491 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar Thiophen-2-yl | C20H23N5OS | 381.5 | 3.71 | 53.5 | 0 | — | designed | |
| AFN-002492 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar Thiophen-3-yl | C20H23N5OS | 381.5 | 3.71 | 53.5 | 0 | — | designed | |
| AFN-002493 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar Furan-3-yl | C20H23N5O2 | 365.4 | 3.24 | 66.7 | 0 | — | designed | |
| AFN-002494 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar 1-Me-pyrazol-4-yl | C20H25N7O | 379.5 | 2.38 | 71.3 | 0 | — | designed | |
| AFN-002495 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar 1-Me-indol-3-yl | C25H28N6O | 428.5 | 4.14 | 58.5 | 0 | — | designed | |
| AFN-002496 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar Naphthalen-2-yl | C26H27N5O | 425.5 | 4.80 | 53.5 | 0 | — | designed | |
| AFN-002497 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar Pyrimidin-5-yl | C20H23N7O | 377.4 | 2.44 | 79.3 | 0 | — | designed | |
| AFN-002498 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar Quinolin-3-yl | C25H26N6O | 426.5 | 4.20 | 66.4 | 0 | — | designed | |
| AFN-002499 | A | R1 4-Me-piperazin-1-yl · R2 OMe · Ar 6-MeO-pyridin-3-yl | C22H26N6O2 | 406.5 | 3.05 | 75.6 | 1 | 7.79 | 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