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-001550 | A | R1 OEt · R2 H · Ar 3,5-diF-phenyl | C18H15F2N3O | 327.3 | 4.56 | 47.0 | 0 | — | designed | |
| AFN-001551 | A | R1 OEt · R2 H · Ar Thiophen-2-yl | C16H15N3OS | 297.4 | 4.35 | 47.0 | 0 | — | designed | |
| AFN-001552 | A | R1 OEt · R2 H · Ar Thiophen-3-yl | C16H15N3OS | 297.4 | 4.35 | 47.0 | 0 | — | designed | |
| AFN-001553 | A | R1 OEt · R2 H · Ar Furan-3-yl | C16H15N3O2 | 281.3 | 3.88 | 60.2 | 0 | — | designed | |
| AFN-001554 | A | R1 OEt · R2 H · Ar 1-Me-pyrazol-4-yl | C16H17N5O | 295.4 | 3.02 | 64.9 | 0 | — | designed | |
| AFN-001555 | A | R1 OEt · R2 H · Ar 1-Me-indol-3-yl | C21H20N4O | 344.4 | 4.78 | 52.0 | 0 | — | designed | |
| AFN-001556 | A | R1 OEt · R2 H · Ar Naphthalen-2-yl | C22H19N3O | 341.4 | 5.44 | 47.0 | 0 | — | designed | |
| AFN-001557 | A | R1 OEt · R2 H · Ar Pyrimidin-5-yl | C16H15N5O | 293.3 | 3.08 | 72.8 | 1 | 7.35 | tested | |
| AFN-001558 | A | R1 OEt · R2 H · Ar Quinolin-3-yl | C21H18N4O | 342.4 | 4.83 | 59.9 | 0 | — | designed | |
| AFN-001559 | A | R1 OEt · R2 H · Ar 6-MeO-pyridin-3-yl | C18H18N4O2 | 322.4 | 3.69 | 69.2 | 1 | 7.77 | tested | |
| AFN-001560 | A | R1 OEt · R2 Me · Ar Phenyl | C19H19N3O | 305.4 | 4.59 | 47.0 | 0 | — | designed | |
| AFN-001561 | A | R1 OEt · R2 Me · Ar Pyridin-3-yl | C18H18N4O | 306.4 | 3.99 | 59.9 | 0 | — | designed | |
| AFN-001562 | A | R1 OEt · R2 Me · Ar Pyridin-4-yl | C18H18N4O | 306.4 | 3.99 | 59.9 | 1 | 7.83 | tested | |
| AFN-001563 | A | R1 OEt · R2 Me · Ar Pyridin-2-yl | C18H18N4O | 306.4 | 3.99 | 59.9 | 0 | — | designed | |
| AFN-001564 | A | R1 OEt · R2 Me · Ar 3-F-phenyl | C19H18FN3O | 323.4 | 4.73 | 47.0 | 0 | — | designed | |
| AFN-001565 | A | R1 OEt · R2 Me · Ar 4-F-phenyl | C19H18FN3O | 323.4 | 4.73 | 47.0 | 0 | — | designed | |
| AFN-001566 | A | R1 OEt · R2 Me · Ar 3-Cl-phenyl | C19H18ClN3O | 339.8 | 5.25 | 47.0 | 0 | — | designed | |
| AFN-001567 | A | R1 OEt · R2 Me · Ar 3-MeO-phenyl | C20H21N3O2 | 335.4 | 4.60 | 56.3 | 1 | 8.04 | tested | |
| AFN-001568 | A | R1 OEt · R2 Me · Ar 2-MeO-phenyl | C20H21N3O2 | 335.4 | 4.60 | 56.3 | 0 | — | designed | |
| AFN-001569 | A | R1 OEt · R2 Me · Ar 3-CN-phenyl | C20H18N4O | 330.4 | 4.47 | 70.8 | 0 | — | designed | |
| AFN-001570 | A | R1 OEt · R2 Me · Ar 3,5-diF-phenyl | C19H17F2N3O | 341.4 | 4.87 | 47.0 | 1 | 7.62 | tested | |
| AFN-001571 | A | R1 OEt · R2 Me · Ar Thiophen-2-yl | C17H17N3OS | 311.4 | 4.66 | 47.0 | 0 | — | designed | |
| AFN-001572 | A | R1 OEt · R2 Me · Ar Thiophen-3-yl | C17H17N3OS | 311.4 | 4.66 | 47.0 | 0 | — | designed | |
| AFN-001573 | A | R1 OEt · R2 Me · Ar Furan-3-yl | C17H17N3O2 | 295.3 | 4.19 | 60.2 | 0 | — | designed | |
| AFN-001574 | A | R1 OEt · R2 Me · Ar 1-Me-pyrazol-4-yl | C17H19N5O | 309.4 | 3.33 | 64.9 | 0 | — | designed | |
| AFN-001575 | A | R1 OEt · R2 Me · Ar 1-Me-indol-3-yl | C22H22N4O | 358.4 | 5.09 | 52.0 | 0 | — | designed | |
| AFN-001576 | A | R1 OEt · R2 Me · Ar Naphthalen-2-yl | C23H21N3O | 355.4 | 5.75 | 47.0 | 0 | — | designed | |
| AFN-001577 | A | R1 OEt · R2 Me · Ar Pyrimidin-5-yl | C17H17N5O | 307.4 | 3.38 | 72.8 | 0 | — | designed | |
| AFN-001578 | A | R1 OEt · R2 Me · Ar Quinolin-3-yl | C22H20N4O | 356.4 | 5.14 | 59.9 | 0 | — | designed | |
| AFN-001579 | A | R1 OEt · R2 Me · Ar 6-MeO-pyridin-3-yl | C19H20N4O2 | 336.4 | 4.00 | 69.2 | 0 | — | designed | |
| AFN-001580 | A | R1 OEt · R2 F · Ar Phenyl | C18H16FN3O | 309.3 | 4.43 | 47.0 | 0 | — | designed | |
| AFN-001581 | A | R1 OEt · R2 F · Ar Pyridin-3-yl | C17H15FN4O | 310.3 | 3.82 | 59.9 | 1 | 8.05 | tested | |
| AFN-001582 | A | R1 OEt · R2 F · Ar Pyridin-4-yl | C17H15FN4O | 310.3 | 3.82 | 59.9 | 0 | — | designed | |
| AFN-001583 | A | R1 OEt · R2 F · Ar Pyridin-2-yl | C17H15FN4O | 310.3 | 3.82 | 59.9 | 0 | — | designed | |
| AFN-001584 | A | R1 OEt · R2 F · Ar 3-F-phenyl | C18H15F2N3O | 327.3 | 4.56 | 47.0 | 0 | — | designed | |
| AFN-001585 | A | R1 OEt · R2 F · Ar 4-F-phenyl | C18H15F2N3O | 327.3 | 4.56 | 47.0 | 0 | — | designed | |
| AFN-001586 | A | R1 OEt · R2 F · Ar 3-Cl-phenyl | C18H15ClFN3O | 343.8 | 5.08 | 47.0 | 0 | — | designed | |
| AFN-001587 | A | R1 OEt · R2 F · Ar 3-MeO-phenyl | C19H18FN3O2 | 339.4 | 4.43 | 56.3 | 0 | — | designed | |
| AFN-001588 | A | R1 OEt · R2 F · Ar 2-MeO-phenyl | C19H18FN3O2 | 339.4 | 4.43 | 56.3 | 0 | — | designed | |
| AFN-001589 | A | R1 OEt · R2 F · Ar 3-CN-phenyl | C19H15FN4O | 334.4 | 4.30 | 70.8 | 0 | — | designed | |
| AFN-001590 | A | R1 OEt · R2 F · Ar 3,5-diF-phenyl | C18H14F3N3O | 345.3 | 4.70 | 47.0 | 0 | — | designed | |
| AFN-001591 | A | R1 OEt · R2 F · Ar Thiophen-2-yl | C16H14FN3OS | 315.4 | 4.49 | 47.0 | 1 | 7.69 | tested | |
| AFN-001592 | A | R1 OEt · R2 F · Ar Thiophen-3-yl | C16H14FN3OS | 315.4 | 4.49 | 47.0 | 0 | — | designed | |
| AFN-001593 | A | R1 OEt · R2 F · Ar Furan-3-yl | C16H14FN3O2 | 299.3 | 4.02 | 60.2 | 0 | — | designed | |
| AFN-001594 | A | R1 OEt · R2 F · Ar 1-Me-pyrazol-4-yl | C16H16FN5O | 313.3 | 3.16 | 64.9 | 0 | — | designed | |
| AFN-001595 | A | R1 OEt · R2 F · Ar 1-Me-indol-3-yl | C21H19FN4O | 362.4 | 4.92 | 52.0 | 1 | 7.82 | tested | |
| AFN-001596 | A | R1 OEt · R2 F · Ar Naphthalen-2-yl | C22H18FN3O | 359.4 | 5.58 | 47.0 | 0 | — | designed | |
| AFN-001597 | A | R1 OEt · R2 F · Ar Pyrimidin-5-yl | C16H14FN5O | 311.3 | 3.22 | 72.8 | 1 | 7.81 | tested | |
| AFN-001598 | A | R1 OEt · R2 F · Ar Quinolin-3-yl | C21H17FN4O | 360.4 | 4.97 | 59.9 | 0 | — | designed | |
| AFN-001599 | A | R1 OEt · R2 F · Ar 6-MeO-pyridin-3-yl | C18H17FN4O2 | 340.4 | 3.83 | 69.2 | 1 | 8.20 | 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