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-001500 | A | R1 OMe · R2 CN · Ar Phenyl | C18H14N4O | 302.3 | 3.77 | 70.8 | 0 | — | designed | |
| AFN-001501 | A | R1 OMe · R2 CN · Ar Pyridin-3-yl | C17H13N5O | 303.3 | 3.16 | 83.7 | 0 | — | designed | |
| AFN-001502 | A | R1 OMe · R2 CN · Ar Pyridin-4-yl | C17H13N5O | 303.3 | 3.16 | 83.7 | 0 | — | designed | |
| AFN-001503 | A | R1 OMe · R2 CN · Ar Pyridin-2-yl | C17H13N5O | 303.3 | 3.16 | 83.7 | 1 | 7.33 | tested | |
| AFN-001504 | A | R1 OMe · R2 CN · Ar 3-F-phenyl | C18H13FN4O | 320.3 | 3.91 | 70.8 | 0 | — | designed | |
| AFN-001505 | A | R1 OMe · R2 CN · Ar 4-F-phenyl | C18H13FN4O | 320.3 | 3.91 | 70.8 | 0 | — | designed | |
| AFN-001506 | A | R1 OMe · R2 CN · Ar 3-Cl-phenyl | C18H13ClN4O | 336.8 | 4.42 | 70.8 | 0 | — | designed | |
| AFN-001507 | A | R1 OMe · R2 CN · Ar 3-MeO-phenyl | C19H16N4O2 | 332.4 | 3.78 | 80.1 | 0 | — | designed | |
| AFN-001508 | A | R1 OMe · R2 CN · Ar 2-MeO-phenyl | C19H16N4O2 | 332.4 | 3.78 | 80.1 | 0 | — | designed | |
| AFN-001509 | A | R1 OMe · R2 CN · Ar 3-CN-phenyl | C19H13N5O | 327.4 | 3.64 | 94.6 | 0 | — | designed | |
| AFN-001510 | A | R1 OMe · R2 CN · Ar 3,5-diF-phenyl | C18H12F2N4O | 338.3 | 4.05 | 70.8 | 0 | — | designed | |
| AFN-001511 | A | R1 OMe · R2 CN · Ar Thiophen-2-yl | C16H12N4OS | 308.4 | 3.83 | 70.8 | 0 | — | designed | |
| AFN-001512 | A | R1 OMe · R2 CN · Ar Thiophen-3-yl | C16H12N4OS | 308.4 | 3.83 | 70.8 | 0 | — | designed | |
| AFN-001513 | A | R1 OMe · R2 CN · Ar Furan-3-yl | C16H12N4O2 | 292.3 | 3.36 | 84.0 | 0 | — | designed | |
| AFN-001514 | A | R1 OMe · R2 CN · Ar 1-Me-pyrazol-4-yl | C16H14N6O | 306.3 | 2.50 | 88.7 | 0 | — | designed | |
| AFN-001515 | A | R1 OMe · R2 CN · Ar 1-Me-indol-3-yl | C21H17N5O | 355.4 | 4.26 | 75.8 | 0 | — | designed | |
| AFN-001516 | A | R1 OMe · R2 CN · Ar Naphthalen-2-yl | C22H16N4O | 352.4 | 4.92 | 70.8 | 0 | — | designed | |
| AFN-001517 | A | R1 OMe · R2 CN · Ar Pyrimidin-5-yl | C16H12N6O | 304.3 | 2.56 | 96.6 | 0 | — | designed | |
| AFN-001518 | A | R1 OMe · R2 CN · Ar Quinolin-3-yl | C21H15N5O | 353.4 | 4.32 | 83.7 | 0 | — | designed | |
| AFN-001519 | A | R1 OMe · R2 CN · Ar 6-MeO-pyridin-3-yl | C18H15N5O2 | 333.4 | 3.17 | 93.0 | 0 | — | designed | |
| AFN-001520 | A | R1 OMe · R2 OMe · Ar Phenyl | C18H17N3O2 | 307.4 | 3.90 | 56.3 | 0 | — | designed | |
| AFN-001521 | A | R1 OMe · R2 OMe · Ar Pyridin-3-yl | C17H16N4O2 | 308.3 | 3.30 | 69.2 | 0 | — | designed | |
| AFN-001522 | A | R1 OMe · R2 OMe · Ar Pyridin-4-yl | C17H16N4O2 | 308.3 | 3.30 | 69.2 | 0 | — | designed | |
| AFN-001523 | A | R1 OMe · R2 OMe · Ar Pyridin-2-yl | C17H16N4O2 | 308.3 | 3.30 | 69.2 | 0 | — | designed | |
| AFN-001524 | A | R1 OMe · R2 OMe · Ar 3-F-phenyl | C18H16FN3O2 | 325.3 | 4.04 | 56.3 | 0 | — | designed | |
| AFN-001525 | A | R1 OMe · R2 OMe · Ar 4-F-phenyl | C18H16FN3O2 | 325.3 | 4.04 | 56.3 | 0 | — | designed | |
| AFN-001526 | A | R1 OMe · R2 OMe · Ar 3-Cl-phenyl | C18H16ClN3O2 | 341.8 | 4.56 | 56.3 | 0 | — | designed | |
| AFN-001527 | A | R1 OMe · R2 OMe · Ar 3-MeO-phenyl | C19H19N3O3 | 337.4 | 3.91 | 65.5 | 0 | — | designed | |
| AFN-001528 | A | R1 OMe · R2 OMe · Ar 2-MeO-phenyl | C19H19N3O3 | 337.4 | 3.91 | 65.5 | 0 | — | designed | |
| AFN-001529 | A | R1 OMe · R2 OMe · Ar 3-CN-phenyl | C19H16N4O2 | 332.4 | 3.78 | 80.1 | 0 | — | designed | |
| AFN-001530 | A | R1 OMe · R2 OMe · Ar 3,5-diF-phenyl | C18H15F2N3O2 | 343.3 | 4.18 | 56.3 | 0 | — | designed | |
| AFN-001531 | A | R1 OMe · R2 OMe · Ar Thiophen-2-yl | C16H15N3O2S | 313.4 | 3.97 | 56.3 | 0 | — | designed | |
| AFN-001532 | A | R1 OMe · R2 OMe · Ar Thiophen-3-yl | C16H15N3O2S | 313.4 | 3.97 | 56.3 | 0 | — | designed | |
| AFN-001533 | A | R1 OMe · R2 OMe · Ar Furan-3-yl | C16H15N3O3 | 297.3 | 3.50 | 69.4 | 0 | — | designed | |
| AFN-001534 | A | R1 OMe · R2 OMe · Ar 1-Me-pyrazol-4-yl | C16H17N5O2 | 311.4 | 2.64 | 74.1 | 1 | 7.76 | tested | |
| AFN-001535 | A | R1 OMe · R2 OMe · Ar 1-Me-indol-3-yl | C21H20N4O2 | 360.4 | 4.40 | 61.2 | 1 | 7.73 | tested | |
| AFN-001536 | A | R1 OMe · R2 OMe · Ar Naphthalen-2-yl | C22H19N3O2 | 357.4 | 5.06 | 56.3 | 0 | — | designed | |
| AFN-001537 | A | R1 OMe · R2 OMe · Ar Pyrimidin-5-yl | C16H15N5O2 | 309.3 | 2.69 | 82.1 | 0 | — | designed | |
| AFN-001538 | A | R1 OMe · R2 OMe · Ar Quinolin-3-yl | C21H18N4O2 | 358.4 | 4.45 | 69.2 | 0 | — | designed | |
| AFN-001539 | A | R1 OMe · R2 OMe · Ar 6-MeO-pyridin-3-yl | C18H18N4O3 | 338.4 | 3.31 | 78.4 | 0 | — | designed | |
| AFN-001540 | A | R1 OEt · R2 H · Ar Phenyl | C18H17N3O | 291.4 | 4.29 | 47.0 | 0 | — | designed | |
| AFN-001541 | A | R1 OEt · R2 H · Ar Pyridin-3-yl | C17H16N4O | 292.3 | 3.68 | 59.9 | 0 | — | designed | |
| AFN-001542 | A | R1 OEt · R2 H · Ar Pyridin-4-yl | C17H16N4O | 292.3 | 3.68 | 59.9 | 0 | — | designed | |
| AFN-001543 | A | R1 OEt · R2 H · Ar Pyridin-2-yl | C17H16N4O | 292.3 | 3.68 | 59.9 | 1 | 7.36 | tested | |
| AFN-001544 | A | R1 OEt · R2 H · Ar 3-F-phenyl | C18H16FN3O | 309.3 | 4.43 | 47.0 | 0 | — | designed | |
| AFN-001545 | A | R1 OEt · R2 H · Ar 4-F-phenyl | C18H16FN3O | 309.3 | 4.43 | 47.0 | 1 | 6.99 | tested | |
| AFN-001546 | A | R1 OEt · R2 H · Ar 3-Cl-phenyl | C18H16ClN3O | 325.8 | 4.94 | 47.0 | 0 | — | designed | |
| AFN-001547 | A | R1 OEt · R2 H · Ar 3-MeO-phenyl | C19H19N3O2 | 321.4 | 4.29 | 56.3 | 0 | — | designed | |
| AFN-001548 | A | R1 OEt · R2 H · Ar 2-MeO-phenyl | C19H19N3O2 | 321.4 | 4.29 | 56.3 | 0 | — | designed | |
| AFN-001549 | A | R1 OEt · R2 H · Ar 3-CN-phenyl | C19H16N4O | 316.4 | 4.16 | 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