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-001600 | A | R1 OEt · R2 Cl · Ar Phenyl | C18H16ClN3O | 325.8 | 4.94 | 47.0 | 0 | — | designed | |
| AFN-001601 | A | R1 OEt · R2 Cl · Ar Pyridin-3-yl | C17H15ClN4O | 326.8 | 4.33 | 59.9 | 0 | — | designed | |
| AFN-001602 | A | R1 OEt · R2 Cl · Ar Pyridin-4-yl | C17H15ClN4O | 326.8 | 4.33 | 59.9 | 0 | — | designed | |
| AFN-001603 | A | R1 OEt · R2 Cl · Ar Pyridin-2-yl | C17H15ClN4O | 326.8 | 4.33 | 59.9 | 0 | — | designed | |
| AFN-001604 | A | R1 OEt · R2 Cl · Ar 3-F-phenyl | C18H15ClFN3O | 343.8 | 5.08 | 47.0 | 0 | — | designed | |
| AFN-001605 | A | R1 OEt · R2 Cl · Ar 4-F-phenyl | C18H15ClFN3O | 343.8 | 5.08 | 47.0 | 0 | — | designed | |
| AFN-001606 | A | R1 OEt · R2 Cl · Ar 3-Cl-phenyl | C18H15Cl2N3O | 360.2 | 5.59 | 47.0 | 0 | — | designed | |
| AFN-001607 | A | R1 OEt · R2 Cl · Ar 3-MeO-phenyl | C19H18ClN3O2 | 355.8 | 4.95 | 56.3 | 0 | — | designed | |
| AFN-001608 | A | R1 OEt · R2 Cl · Ar 2-MeO-phenyl | C19H18ClN3O2 | 355.8 | 4.95 | 56.3 | 1 | — | tested | |
| AFN-001609 | A | R1 OEt · R2 Cl · Ar 3-CN-phenyl | C19H15ClN4O | 350.8 | 4.81 | 70.8 | 1 | 8.07 | tested | |
| AFN-001610 | A | R1 OEt · R2 Cl · Ar 3,5-diF-phenyl | C18H14ClF2N3O | 361.8 | 5.22 | 47.0 | 1 | 7.57 | tested | |
| AFN-001611 | A | R1 OEt · R2 Cl · Ar Thiophen-2-yl | C16H14ClN3OS | 331.8 | 5.00 | 47.0 | 0 | — | designed | |
| AFN-001612 | A | R1 OEt · R2 Cl · Ar Thiophen-3-yl | C16H14ClN3OS | 331.8 | 5.00 | 47.0 | 0 | — | designed | |
| AFN-001613 | A | R1 OEt · R2 Cl · Ar Furan-3-yl | C16H14ClN3O2 | 315.8 | 4.53 | 60.2 | 0 | — | designed | |
| AFN-001614 | A | R1 OEt · R2 Cl · Ar 1-Me-pyrazol-4-yl | C16H16ClN5O | 329.8 | 3.67 | 64.9 | 1 | 7.88 | tested | |
| AFN-001615 | A | R1 OEt · R2 Cl · Ar 1-Me-indol-3-yl | C21H19ClN4O | 378.9 | 5.43 | 52.0 | 0 | — | designed | |
| AFN-001616 | A | R1 OEt · R2 Cl · Ar Naphthalen-2-yl | C22H18ClN3O | 375.9 | 6.09 | 47.0 | 0 | — | designed | |
| AFN-001617 | A | R1 OEt · R2 Cl · Ar Pyrimidin-5-yl | C16H14ClN5O | 327.8 | 3.73 | 72.8 | 0 | — | designed | |
| AFN-001618 | A | R1 OEt · R2 Cl · Ar Quinolin-3-yl | C21H17ClN4O | 376.9 | 5.49 | 59.9 | 0 | — | designed | |
| AFN-001619 | A | R1 OEt · R2 Cl · Ar 6-MeO-pyridin-3-yl | C18H17ClN4O2 | 356.8 | 4.34 | 69.2 | 0 | — | designed | |
| AFN-001620 | A | R1 OEt · R2 Br · Ar Phenyl | C18H16BrN3O | 370.3 | 5.05 | 47.0 | 0 | — | designed | |
| AFN-001621 | A | R1 OEt · R2 Br · Ar Pyridin-3-yl | C17H15BrN4O | 371.2 | 4.44 | 59.9 | 0 | — | designed | |
| AFN-001622 | A | R1 OEt · R2 Br · Ar Pyridin-4-yl | C17H15BrN4O | 371.2 | 4.44 | 59.9 | 0 | — | designed | |
| AFN-001623 | A | R1 OEt · R2 Br · Ar Pyridin-2-yl | C17H15BrN4O | 371.2 | 4.44 | 59.9 | 0 | — | designed | |
| AFN-001624 | A | R1 OEt · R2 Br · Ar 3-F-phenyl | C18H15BrFN3O | 388.2 | 5.19 | 47.0 | 0 | — | designed | |
| AFN-001625 | A | R1 OEt · R2 Br · Ar 4-F-phenyl | C18H15BrFN3O | 388.2 | 5.19 | 47.0 | 0 | — | designed | |
| AFN-001626 | A | R1 OEt · R2 Br · Ar 3-Cl-phenyl | C18H15BrClN3O | 404.7 | 5.70 | 47.0 | 0 | — | designed | |
| AFN-001627 | A | R1 OEt · R2 Br · Ar 3-MeO-phenyl | C19H18BrN3O2 | 400.3 | 5.06 | 56.3 | 0 | — | designed | |
| AFN-001628 | A | R1 OEt · R2 Br · Ar 2-MeO-phenyl | C19H18BrN3O2 | 400.3 | 5.06 | 56.3 | 0 | — | designed | |
| AFN-001629 | A | R1 OEt · R2 Br · Ar 3-CN-phenyl | C19H15BrN4O | 395.3 | 4.92 | 70.8 | 0 | — | designed | |
| AFN-001630 | A | R1 OEt · R2 Br · Ar 3,5-diF-phenyl | C18H14BrF2N3O | 406.2 | 5.33 | 47.0 | 0 | — | designed | |
| AFN-001631 | A | R1 OEt · R2 Br · Ar Thiophen-2-yl | C16H14BrN3OS | 376.3 | 5.11 | 47.0 | 0 | — | designed | |
| AFN-001632 | A | R1 OEt · R2 Br · Ar Thiophen-3-yl | C16H14BrN3OS | 376.3 | 5.11 | 47.0 | 0 | — | designed | |
| AFN-001633 | A | R1 OEt · R2 Br · Ar Furan-3-yl | C16H14BrN3O2 | 360.2 | 4.64 | 60.2 | 0 | — | designed | |
| AFN-001634 | A | R1 OEt · R2 Br · Ar 1-Me-pyrazol-4-yl | C16H16BrN5O | 374.2 | 3.78 | 64.9 | 0 | — | designed | |
| AFN-001635 | A | R1 OEt · R2 Br · Ar 1-Me-indol-3-yl | C21H19BrN4O | 423.3 | 5.54 | 52.0 | 0 | — | designed | |
| AFN-001636 | A | R1 OEt · R2 Br · Ar Naphthalen-2-yl | C22H18BrN3O | 420.3 | 6.20 | 47.0 | 0 | — | designed | |
| AFN-001637 | A | R1 OEt · R2 Br · Ar Pyrimidin-5-yl | C16H14BrN5O | 372.2 | 3.84 | 72.8 | 0 | — | designed | |
| AFN-001638 | A | R1 OEt · R2 Br · Ar Quinolin-3-yl | C21H17BrN4O | 421.3 | 5.60 | 59.9 | 0 | — | designed | |
| AFN-001639 | A | R1 OEt · R2 Br · Ar 6-MeO-pyridin-3-yl | C18H17BrN4O2 | 401.3 | 4.45 | 69.2 | 0 | — | designed | |
| AFN-001640 | A | R1 OEt · R2 CF3 · Ar Phenyl | C19H16F3N3O | 359.4 | 5.30 | 47.0 | 0 | — | designed | |
| AFN-001641 | A | R1 OEt · R2 CF3 · Ar Pyridin-3-yl | C18H15F3N4O | 360.3 | 4.70 | 59.9 | 0 | — | designed | |
| AFN-001642 | A | R1 OEt · R2 CF3 · Ar Pyridin-4-yl | C18H15F3N4O | 360.3 | 4.70 | 59.9 | 0 | — | designed | |
| AFN-001643 | A | R1 OEt · R2 CF3 · Ar Pyridin-2-yl | C18H15F3N4O | 360.3 | 4.70 | 59.9 | 0 | — | designed | |
| AFN-001644 | A | R1 OEt · R2 CF3 · Ar 3-F-phenyl | C19H15F4N3O | 377.3 | 5.44 | 47.0 | 0 | — | designed | |
| AFN-001645 | A | R1 OEt · R2 CF3 · Ar 4-F-phenyl | C19H15F4N3O | 377.3 | 5.44 | 47.0 | 0 | — | designed | |
| AFN-001646 | A | R1 OEt · R2 CF3 · Ar 3-Cl-phenyl | C19H15ClF3N3O | 393.8 | 5.96 | 47.0 | 0 | — | designed | |
| AFN-001647 | A | R1 OEt · R2 CF3 · Ar 3-MeO-phenyl | C20H18F3N3O2 | 389.4 | 5.31 | 56.3 | 0 | — | designed | |
| AFN-001648 | A | R1 OEt · R2 CF3 · Ar 2-MeO-phenyl | C20H18F3N3O2 | 389.4 | 5.31 | 56.3 | 0 | — | designed | |
| AFN-001649 | A | R1 OEt · R2 CF3 · Ar 3-CN-phenyl | C20H15F3N4O | 384.4 | 5.18 | 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