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-002400 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar Phenyl | C21H22ClN5 | 379.9 | 4.29 | 44.3 | 0 | — | designed | |
| AFN-002401 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar Pyridin-3-yl | C20H21ClN6 | 380.9 | 3.69 | 57.2 | 0 | — | designed | |
| AFN-002402 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar Pyridin-4-yl | C20H21ClN6 | 380.9 | 3.69 | 57.2 | 0 | — | designed | |
| AFN-002403 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar Pyridin-2-yl | C20H21ClN6 | 380.9 | 3.69 | 57.2 | 0 | — | designed | |
| AFN-002404 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar 3-F-phenyl | C21H21ClFN5 | 397.9 | 4.43 | 44.3 | 0 | — | designed | |
| AFN-002405 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar 4-F-phenyl | C21H21ClFN5 | 397.9 | 4.43 | 44.3 | 0 | — | designed | |
| AFN-002406 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar 3-Cl-phenyl | C21H21Cl2N5 | 414.3 | 4.95 | 44.3 | 0 | — | designed | |
| AFN-002407 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar 3-MeO-phenyl | C22H24ClN5O | 409.9 | 4.30 | 53.5 | 0 | — | designed | |
| AFN-002408 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar 2-MeO-phenyl | C22H24ClN5O | 409.9 | 4.30 | 53.5 | 0 | — | designed | |
| AFN-002409 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar 3-CN-phenyl | C22H21ClN6 | 404.9 | 4.16 | 68.1 | 0 | — | designed | |
| AFN-002410 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar 3,5-diF-phenyl | C21H20ClF2N5 | 415.9 | 4.57 | 44.3 | 1 | 7.86 | tested | |
| AFN-002411 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar Thiophen-2-yl | C19H20ClN5S | 385.9 | 4.35 | 44.3 | 0 | — | designed | |
| AFN-002412 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar Thiophen-3-yl | C19H20ClN5S | 385.9 | 4.35 | 44.3 | 0 | — | designed | |
| AFN-002413 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar Furan-3-yl | C19H20ClN5O | 369.9 | 3.89 | 57.4 | 0 | — | designed | |
| AFN-002414 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar 1-Me-pyrazol-4-yl | C19H22ClN7 | 383.9 | 3.03 | 62.1 | 0 | — | designed | |
| AFN-002415 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar 1-Me-indol-3-yl | C24H25ClN6 | 433.0 | 4.78 | 49.2 | 0 | — | designed | |
| AFN-002416 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar Naphthalen-2-yl | C25H24ClN5 | 430.0 | 5.45 | 44.3 | 0 | — | designed | |
| AFN-002417 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar Pyrimidin-5-yl | C19H20ClN7 | 381.9 | 3.08 | 70.1 | 1 | 8.14 | tested | |
| AFN-002418 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar Quinolin-3-yl | C24H23ClN6 | 430.9 | 4.84 | 57.2 | 0 | — | designed | |
| AFN-002419 | A | R1 4-Me-piperazin-1-yl · R2 Cl · Ar 6-MeO-pyridin-3-yl | C21H23ClN6O | 410.9 | 3.70 | 66.4 | 0 | — | designed | |
| AFN-002420 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar Phenyl | C21H22BrN5 | 424.4 | 4.40 | 44.3 | 0 | — | designed | |
| AFN-002421 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar Pyridin-3-yl | C20H21BrN6 | 425.3 | 3.80 | 57.2 | 0 | — | designed | |
| AFN-002422 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar Pyridin-4-yl | C20H21BrN6 | 425.3 | 3.80 | 57.2 | 0 | — | designed | |
| AFN-002423 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar Pyridin-2-yl | C20H21BrN6 | 425.3 | 3.80 | 57.2 | 0 | — | designed | |
| AFN-002424 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar 3-F-phenyl | C21H21BrFN5 | 442.3 | 4.54 | 44.3 | 0 | — | designed | |
| AFN-002425 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar 4-F-phenyl | C21H21BrFN5 | 442.3 | 4.54 | 44.3 | 0 | — | designed | |
| AFN-002426 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar 3-Cl-phenyl | C21H21BrClN5 | 458.8 | 5.05 | 44.3 | 0 | — | designed | |
| AFN-002427 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar 3-MeO-phenyl | C22H24BrN5O | 454.4 | 4.41 | 53.5 | 0 | — | designed | |
| AFN-002428 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar 2-MeO-phenyl | C22H24BrN5O | 454.4 | 4.41 | 53.5 | 1 | 7.25 | tested | |
| AFN-002429 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar 3-CN-phenyl | C22H21BrN6 | 449.4 | 4.27 | 68.1 | 0 | — | designed | |
| AFN-002430 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar 3,5-diF-phenyl | C21H20BrF2N5 | 460.3 | 4.68 | 44.3 | 1 | 7.59 | tested | |
| AFN-002431 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar Thiophen-2-yl | C19H20BrN5S | 430.4 | 4.46 | 44.3 | 0 | — | designed | |
| AFN-002432 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar Thiophen-3-yl | C19H20BrN5S | 430.4 | 4.46 | 44.3 | 0 | — | designed | |
| AFN-002433 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar Furan-3-yl | C19H20BrN5O | 414.3 | 3.99 | 57.4 | 0 | — | designed | |
| AFN-002434 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar 1-Me-pyrazol-4-yl | C19H22BrN7 | 428.3 | 3.14 | 62.1 | 0 | — | designed | |
| AFN-002435 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar 1-Me-indol-3-yl | C24H25BrN6 | 477.4 | 4.89 | 49.2 | 1 | 7.81 | tested | |
| AFN-002436 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar Naphthalen-2-yl | C25H24BrN5 | 474.4 | 5.55 | 44.3 | 0 | — | designed | |
| AFN-002437 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar Pyrimidin-5-yl | C19H20BrN7 | 426.3 | 3.19 | 70.1 | 0 | — | designed | |
| AFN-002438 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar Quinolin-3-yl | C24H23BrN6 | 475.4 | 4.95 | 57.2 | 0 | — | designed | |
| AFN-002439 | A | R1 4-Me-piperazin-1-yl · R2 Br · Ar 6-MeO-pyridin-3-yl | C21H23BrN6O | 455.4 | 3.81 | 66.4 | 1 | 7.77 | tested | |
| AFN-002440 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar Phenyl | C22H22F3N5 | 413.4 | 4.66 | 44.3 | 0 | — | designed | |
| AFN-002441 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar Pyridin-3-yl | C21H21F3N6 | 414.4 | 4.05 | 57.2 | 0 | — | designed | |
| AFN-002442 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar Pyridin-4-yl | C21H21F3N6 | 414.4 | 4.05 | 57.2 | 0 | — | designed | |
| AFN-002443 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar Pyridin-2-yl | C21H21F3N6 | 414.4 | 4.05 | 57.2 | 0 | — | designed | |
| AFN-002444 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar 3-F-phenyl | C22H21F4N5 | 431.4 | 4.80 | 44.3 | 0 | — | designed | |
| AFN-002445 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar 4-F-phenyl | C22H21F4N5 | 431.4 | 4.80 | 44.3 | 0 | — | designed | |
| AFN-002446 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar 3-Cl-phenyl | C22H21ClF3N5 | 447.9 | 5.31 | 44.3 | 0 | — | designed | |
| AFN-002447 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar 3-MeO-phenyl | C23H24F3N5O | 443.5 | 4.67 | 53.5 | 0 | — | designed | |
| AFN-002448 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar 2-MeO-phenyl | C23H24F3N5O | 443.5 | 4.67 | 53.5 | 0 | — | designed | |
| AFN-002449 | A | R1 4-Me-piperazin-1-yl · R2 CF3 · Ar 3-CN-phenyl | C23H21F3N6 | 438.5 | 4.53 | 68.1 | 1 | 7.68 | 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