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-001650 | A | R1 OEt · R2 CF3 · Ar 3,5-diF-phenyl | C19H14F5N3O | 395.3 | 5.58 | 47.0 | 0 | — | designed | |
| AFN-001651 | A | R1 OEt · R2 CF3 · Ar Thiophen-2-yl | C17H14F3N3OS | 365.4 | 5.37 | 47.0 | 0 | — | designed | |
| AFN-001652 | A | R1 OEt · R2 CF3 · Ar Thiophen-3-yl | C17H14F3N3OS | 365.4 | 5.37 | 47.0 | 1 | 7.12 | tested | |
| AFN-001653 | A | R1 OEt · R2 CF3 · Ar Furan-3-yl | C17H14F3N3O2 | 349.3 | 4.90 | 60.2 | 0 | — | designed | |
| AFN-001654 | A | R1 OEt · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C17H16F3N5O | 363.3 | 4.04 | 64.9 | 1 | 7.31 | tested | |
| AFN-001655 | A | R1 OEt · R2 CF3 · Ar 1-Me-indol-3-yl | C22H19F3N4O | 412.4 | 5.80 | 52.0 | 0 | — | designed | |
| AFN-001656 | A | R1 OEt · R2 CF3 · Ar Naphthalen-2-yl | C23H18F3N3O | 409.4 | 6.46 | 47.0 | 0 | — | designed | |
| AFN-001657 | A | R1 OEt · R2 CF3 · Ar Pyrimidin-5-yl | C17H14F3N5O | 361.3 | 4.09 | 72.8 | 0 | — | designed | |
| AFN-001658 | A | R1 OEt · R2 CF3 · Ar Quinolin-3-yl | C22H17F3N4O | 410.4 | 5.85 | 59.9 | 0 | — | designed | |
| AFN-001659 | A | R1 OEt · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C19H17F3N4O2 | 390.4 | 4.71 | 69.2 | 0 | — | designed | |
| AFN-001660 | A | R1 OEt · R2 CN · Ar Phenyl | C19H16N4O | 316.4 | 4.16 | 70.8 | 0 | — | designed | |
| AFN-001661 | A | R1 OEt · R2 CN · Ar Pyridin-3-yl | C18H15N5O | 317.4 | 3.55 | 83.7 | 0 | — | designed | |
| AFN-001662 | A | R1 OEt · R2 CN · Ar Pyridin-4-yl | C18H15N5O | 317.4 | 3.55 | 83.7 | 0 | — | designed | |
| AFN-001663 | A | R1 OEt · R2 CN · Ar Pyridin-2-yl | C18H15N5O | 317.4 | 3.55 | 83.7 | 1 | — | tested | |
| AFN-001664 | A | R1 OEt · R2 CN · Ar 3-F-phenyl | C19H15FN4O | 334.4 | 4.30 | 70.8 | 1 | 7.62 | tested | |
| AFN-001665 | A | R1 OEt · R2 CN · Ar 4-F-phenyl | C19H15FN4O | 334.4 | 4.30 | 70.8 | 0 | — | designed | |
| AFN-001666 | A | R1 OEt · R2 CN · Ar 3-Cl-phenyl | C19H15ClN4O | 350.8 | 4.81 | 70.8 | 0 | — | designed | |
| AFN-001667 | A | R1 OEt · R2 CN · Ar 3-MeO-phenyl | C20H18N4O2 | 346.4 | 4.17 | 80.1 | 0 | — | designed | |
| AFN-001668 | A | R1 OEt · R2 CN · Ar 2-MeO-phenyl | C20H18N4O2 | 346.4 | 4.17 | 80.1 | 0 | — | designed | |
| AFN-001669 | A | R1 OEt · R2 CN · Ar 3-CN-phenyl | C20H15N5O | 341.4 | 4.03 | 94.6 | 0 | — | designed | |
| AFN-001670 | A | R1 OEt · R2 CN · Ar 3,5-diF-phenyl | C19H14F2N4O | 352.3 | 4.44 | 70.8 | 1 | 7.66 | tested | |
| AFN-001671 | A | R1 OEt · R2 CN · Ar Thiophen-2-yl | C17H14N4OS | 322.4 | 4.22 | 70.8 | 0 | — | designed | |
| AFN-001672 | A | R1 OEt · R2 CN · Ar Thiophen-3-yl | C17H14N4OS | 322.4 | 4.22 | 70.8 | 0 | — | designed | |
| AFN-001673 | A | R1 OEt · R2 CN · Ar Furan-3-yl | C17H14N4O2 | 306.3 | 3.75 | 84.0 | 0 | — | designed | |
| AFN-001674 | A | R1 OEt · R2 CN · Ar 1-Me-pyrazol-4-yl | C17H16N6O | 320.4 | 2.89 | 88.7 | 1 | 7.79 | tested | |
| AFN-001675 | A | R1 OEt · R2 CN · Ar 1-Me-indol-3-yl | C22H19N5O | 369.4 | 4.65 | 75.8 | 0 | — | designed | |
| AFN-001676 | A | R1 OEt · R2 CN · Ar Naphthalen-2-yl | C23H18N4O | 366.4 | 5.31 | 70.8 | 1 | 7.39 | tested | |
| AFN-001677 | A | R1 OEt · R2 CN · Ar Pyrimidin-5-yl | C17H14N6O | 318.3 | 2.95 | 96.6 | 0 | — | designed | |
| AFN-001678 | A | R1 OEt · R2 CN · Ar Quinolin-3-yl | C22H17N5O | 367.4 | 4.71 | 83.7 | 0 | — | designed | |
| AFN-001679 | A | R1 OEt · R2 CN · Ar 6-MeO-pyridin-3-yl | C19H17N5O2 | 347.4 | 3.56 | 93.0 | 0 | — | designed | |
| AFN-001680 | A | R1 OEt · R2 OMe · Ar Phenyl | C19H19N3O2 | 321.4 | 4.29 | 56.3 | 1 | 7.10 | tested | |
| AFN-001681 | A | R1 OEt · R2 OMe · Ar Pyridin-3-yl | C18H18N4O2 | 322.4 | 3.69 | 69.2 | 0 | — | designed | |
| AFN-001682 | A | R1 OEt · R2 OMe · Ar Pyridin-4-yl | C18H18N4O2 | 322.4 | 3.69 | 69.2 | 0 | — | designed | |
| AFN-001683 | A | R1 OEt · R2 OMe · Ar Pyridin-2-yl | C18H18N4O2 | 322.4 | 3.69 | 69.2 | 0 | — | designed | |
| AFN-001684 | A | R1 OEt · R2 OMe · Ar 3-F-phenyl | C19H18FN3O2 | 339.4 | 4.43 | 56.3 | 0 | — | designed | |
| AFN-001685 | A | R1 OEt · R2 OMe · Ar 4-F-phenyl | C19H18FN3O2 | 339.4 | 4.43 | 56.3 | 0 | — | designed | |
| AFN-001686 | A | R1 OEt · R2 OMe · Ar 3-Cl-phenyl | C19H18ClN3O2 | 355.8 | 4.95 | 56.3 | 0 | — | designed | |
| AFN-001687 | A | R1 OEt · R2 OMe · Ar 3-MeO-phenyl | C20H21N3O3 | 351.4 | 4.30 | 65.5 | 0 | — | designed | |
| AFN-001688 | A | R1 OEt · R2 OMe · Ar 2-MeO-phenyl | C20H21N3O3 | 351.4 | 4.30 | 65.5 | 0 | — | designed | |
| AFN-001689 | A | R1 OEt · R2 OMe · Ar 3-CN-phenyl | C20H18N4O2 | 346.4 | 4.17 | 80.1 | 0 | — | designed | |
| AFN-001690 | A | R1 OEt · R2 OMe · Ar 3,5-diF-phenyl | C19H17F2N3O2 | 357.4 | 4.57 | 56.3 | 0 | — | designed | |
| AFN-001691 | A | R1 OEt · R2 OMe · Ar Thiophen-2-yl | C17H17N3O2S | 327.4 | 4.36 | 56.3 | 0 | — | designed | |
| AFN-001692 | A | R1 OEt · R2 OMe · Ar Thiophen-3-yl | C17H17N3O2S | 327.4 | 4.36 | 56.3 | 0 | — | designed | |
| AFN-001693 | A | R1 OEt · R2 OMe · Ar Furan-3-yl | C17H17N3O3 | 311.3 | 3.89 | 69.4 | 0 | — | designed | |
| AFN-001694 | A | R1 OEt · R2 OMe · Ar 1-Me-pyrazol-4-yl | C17H19N5O2 | 325.4 | 3.03 | 74.1 | 0 | — | designed | |
| AFN-001695 | A | R1 OEt · R2 OMe · Ar 1-Me-indol-3-yl | C22H22N4O2 | 374.4 | 4.79 | 61.2 | 0 | — | designed | |
| AFN-001696 | A | R1 OEt · R2 OMe · Ar Naphthalen-2-yl | C23H21N3O2 | 371.4 | 5.45 | 56.3 | 0 | — | designed | |
| AFN-001697 | A | R1 OEt · R2 OMe · Ar Pyrimidin-5-yl | C17H17N5O2 | 323.4 | 3.08 | 82.1 | 0 | — | designed | |
| AFN-001698 | A | R1 OEt · R2 OMe · Ar Quinolin-3-yl | C22H20N4O2 | 372.4 | 4.84 | 69.2 | 0 | — | designed | |
| AFN-001699 | A | R1 OEt · R2 OMe · Ar 6-MeO-pyridin-3-yl | C19H20N4O3 | 352.4 | 3.70 | 78.4 | 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