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-001400 | A | R1 OMe · R2 Me · Ar Phenyl | C18H17N3O | 291.4 | 4.20 | 47.0 | 0 | — | designed | |
| AFN-001401 | A | R1 OMe · R2 Me · Ar Pyridin-3-yl | C17H16N4O | 292.3 | 3.60 | 59.9 | 0 | — | designed | |
| AFN-001402 | A | R1 OMe · R2 Me · Ar Pyridin-4-yl | C17H16N4O | 292.3 | 3.60 | 59.9 | 0 | — | designed | |
| AFN-001403 | A | R1 OMe · R2 Me · Ar Pyridin-2-yl | C17H16N4O | 292.3 | 3.60 | 59.9 | 0 | — | designed | |
| AFN-001404 | A | R1 OMe · R2 Me · Ar 3-F-phenyl | C18H16FN3O | 309.3 | 4.34 | 47.0 | 0 | — | designed | |
| AFN-001405 | A | R1 OMe · R2 Me · Ar 4-F-phenyl | C18H16FN3O | 309.3 | 4.34 | 47.0 | 1 | 7.59 | tested | |
| AFN-001406 | A | R1 OMe · R2 Me · Ar 3-Cl-phenyl | C18H16ClN3O | 325.8 | 4.86 | 47.0 | 0 | — | designed | |
| AFN-001407 | A | R1 OMe · R2 Me · Ar 3-MeO-phenyl | C19H19N3O2 | 321.4 | 4.21 | 56.3 | 0 | — | designed | |
| AFN-001408 | A | R1 OMe · R2 Me · Ar 2-MeO-phenyl | C19H19N3O2 | 321.4 | 4.21 | 56.3 | 0 | — | designed | |
| AFN-001409 | A | R1 OMe · R2 Me · Ar 3-CN-phenyl | C19H16N4O | 316.4 | 4.08 | 70.8 | 0 | — | designed | |
| AFN-001410 | A | R1 OMe · R2 Me · Ar 3,5-diF-phenyl | C18H15F2N3O | 327.3 | 4.48 | 47.0 | 0 | — | designed | |
| AFN-001411 | A | R1 OMe · R2 Me · Ar Thiophen-2-yl | C16H15N3OS | 297.4 | 4.27 | 47.0 | 0 | — | designed | |
| AFN-001412 | A | R1 OMe · R2 Me · Ar Thiophen-3-yl | C16H15N3OS | 297.4 | 4.27 | 47.0 | 0 | — | designed | |
| AFN-001413 | A | R1 OMe · R2 Me · Ar Furan-3-yl | C16H15N3O2 | 281.3 | 3.80 | 60.2 | 0 | — | designed | |
| AFN-001414 | A | R1 OMe · R2 Me · Ar 1-Me-pyrazol-4-yl | C16H17N5O | 295.4 | 2.94 | 64.9 | 0 | — | designed | |
| AFN-001415 | A | R1 OMe · R2 Me · Ar 1-Me-indol-3-yl | C21H20N4O | 344.4 | 4.70 | 52.0 | 0 | — | designed | |
| AFN-001416 | A | R1 OMe · R2 Me · Ar Naphthalen-2-yl | C22H19N3O | 341.4 | 5.36 | 47.0 | 0 | — | designed | |
| AFN-001417 | A | R1 OMe · R2 Me · Ar Pyrimidin-5-yl | C16H15N5O | 293.3 | 2.99 | 72.8 | 0 | — | designed | |
| AFN-001418 | A | R1 OMe · R2 Me · Ar Quinolin-3-yl | C21H18N4O | 342.4 | 4.75 | 59.9 | 0 | — | designed | |
| AFN-001419 | A | R1 OMe · R2 Me · Ar 6-MeO-pyridin-3-yl | C18H18N4O2 | 322.4 | 3.61 | 69.2 | 0 | — | designed | |
| AFN-001420 | A | R1 OMe · R2 F · Ar Phenyl | C17H14FN3O | 295.3 | 4.03 | 47.0 | 0 | — | designed | |
| AFN-001421 | A | R1 OMe · R2 F · Ar Pyridin-3-yl | C16H13FN4O | 296.3 | 3.43 | 59.9 | 0 | — | designed | |
| AFN-001422 | A | R1 OMe · R2 F · Ar Pyridin-4-yl | C16H13FN4O | 296.3 | 3.43 | 59.9 | 0 | — | designed | |
| AFN-001423 | A | R1 OMe · R2 F · Ar Pyridin-2-yl | C16H13FN4O | 296.3 | 3.43 | 59.9 | 0 | — | designed | |
| AFN-001424 | A | R1 OMe · R2 F · Ar 3-F-phenyl | C17H13F2N3O | 313.3 | 4.17 | 47.0 | 0 | — | designed | |
| AFN-001425 | A | R1 OMe · R2 F · Ar 4-F-phenyl | C17H13F2N3O | 313.3 | 4.17 | 47.0 | 0 | — | designed | |
| AFN-001426 | A | R1 OMe · R2 F · Ar 3-Cl-phenyl | C17H13ClFN3O | 329.8 | 4.69 | 47.0 | 0 | — | designed | |
| AFN-001427 | A | R1 OMe · R2 F · Ar 3-MeO-phenyl | C18H16FN3O2 | 325.3 | 4.04 | 56.3 | 0 | — | designed | |
| AFN-001428 | A | R1 OMe · R2 F · Ar 2-MeO-phenyl | C18H16FN3O2 | 325.3 | 4.04 | 56.3 | 0 | — | designed | |
| AFN-001429 | A | R1 OMe · R2 F · Ar 3-CN-phenyl | C18H13FN4O | 320.3 | 3.91 | 70.8 | 0 | — | designed | |
| AFN-001430 | A | R1 OMe · R2 F · Ar 3,5-diF-phenyl | C17H12F3N3O | 331.3 | 4.31 | 47.0 | 0 | — | designed | |
| AFN-001431 | A | R1 OMe · R2 F · Ar Thiophen-2-yl | C15H12FN3OS | 301.4 | 4.10 | 47.0 | 0 | — | designed | |
| AFN-001432 | A | R1 OMe · R2 F · Ar Thiophen-3-yl | C15H12FN3OS | 301.4 | 4.10 | 47.0 | 0 | — | designed | |
| AFN-001433 | A | R1 OMe · R2 F · Ar Furan-3-yl | C15H12FN3O2 | 285.3 | 3.63 | 60.2 | 0 | — | designed | |
| AFN-001434 | A | R1 OMe · R2 F · Ar 1-Me-pyrazol-4-yl | C15H14FN5O | 299.3 | 2.77 | 64.9 | 0 | — | designed | |
| AFN-001435 | A | R1 OMe · R2 F · Ar 1-Me-indol-3-yl | C20H17FN4O | 348.4 | 4.53 | 52.0 | 0 | — | designed | |
| AFN-001436 | A | R1 OMe · R2 F · Ar Naphthalen-2-yl | C21H16FN3O | 345.4 | 5.19 | 47.0 | 0 | — | designed | |
| AFN-001437 | A | R1 OMe · R2 F · Ar Pyrimidin-5-yl | C15H12FN5O | 297.3 | 2.82 | 72.8 | 0 | — | designed | |
| AFN-001438 | A | R1 OMe · R2 F · Ar Quinolin-3-yl | C20H15FN4O | 346.4 | 4.58 | 59.9 | 0 | — | designed | |
| AFN-001439 | A | R1 OMe · R2 F · Ar 6-MeO-pyridin-3-yl | C17H15FN4O2 | 326.3 | 3.44 | 69.2 | 0 | — | designed | |
| AFN-001440 | A | R1 OMe · R2 Cl · Ar Phenyl | C17H14ClN3O | 311.8 | 4.55 | 47.0 | 0 | — | designed | |
| AFN-001441 | A | R1 OMe · R2 Cl · Ar Pyridin-3-yl | C16H13ClN4O | 312.8 | 3.94 | 59.9 | 0 | — | designed | |
| AFN-001442 | A | R1 OMe · R2 Cl · Ar Pyridin-4-yl | C16H13ClN4O | 312.8 | 3.94 | 59.9 | 0 | — | designed | |
| AFN-001443 | A | R1 OMe · R2 Cl · Ar Pyridin-2-yl | C16H13ClN4O | 312.8 | 3.94 | 59.9 | 0 | — | designed | |
| AFN-001444 | A | R1 OMe · R2 Cl · Ar 3-F-phenyl | C17H13ClFN3O | 329.8 | 4.69 | 47.0 | 0 | — | designed | |
| AFN-001445 | A | R1 OMe · R2 Cl · Ar 4-F-phenyl | C17H13ClFN3O | 329.8 | 4.69 | 47.0 | 0 | — | designed | |
| AFN-001446 | A | R1 OMe · R2 Cl · Ar 3-Cl-phenyl | C17H13Cl2N3O | 346.2 | 5.20 | 47.0 | 1 | 7.72 | tested | |
| AFN-001447 | A | R1 OMe · R2 Cl · Ar 3-MeO-phenyl | C18H16ClN3O2 | 341.8 | 4.56 | 56.3 | 0 | — | designed | |
| AFN-001448 | A | R1 OMe · R2 Cl · Ar 2-MeO-phenyl | C18H16ClN3O2 | 341.8 | 4.56 | 56.3 | 0 | — | designed | |
| AFN-001449 | A | R1 OMe · R2 Cl · Ar 3-CN-phenyl | C18H13ClN4O | 336.8 | 4.42 | 70.8 | 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