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-002800 | A | R1 CONH2 · R2 OMe · Ar Phenyl | C18H16N4O2 | 320.4 | 2.99 | 90.1 | 0 | — | designed | |
| AFN-002801 | A | R1 CONH2 · R2 OMe · Ar Pyridin-3-yl | C17H15N5O2 | 321.3 | 2.39 | 103.0 | 0 | — | designed | |
| AFN-002802 | A | R1 CONH2 · R2 OMe · Ar Pyridin-4-yl | C17H15N5O2 | 321.3 | 2.39 | 103.0 | 0 | — | designed | |
| AFN-002803 | A | R1 CONH2 · R2 OMe · Ar Pyridin-2-yl | C17H15N5O2 | 321.3 | 2.39 | 103.0 | 0 | — | designed | |
| AFN-002804 | A | R1 CONH2 · R2 OMe · Ar 3-F-phenyl | C18H15FN4O2 | 338.3 | 3.13 | 90.1 | 0 | — | designed | |
| AFN-002805 | A | R1 CONH2 · R2 OMe · Ar 4-F-phenyl | C18H15FN4O2 | 338.3 | 3.13 | 90.1 | 0 | — | designed | |
| AFN-002806 | A | R1 CONH2 · R2 OMe · Ar 3-Cl-phenyl | C18H15ClN4O2 | 354.8 | 3.65 | 90.1 | 0 | — | designed | |
| AFN-002807 | A | R1 CONH2 · R2 OMe · Ar 3-MeO-phenyl | C19H18N4O3 | 350.4 | 3.00 | 99.4 | 0 | — | designed | |
| AFN-002808 | A | R1 CONH2 · R2 OMe · Ar 2-MeO-phenyl | C19H18N4O3 | 350.4 | 3.00 | 99.4 | 0 | — | designed | |
| AFN-002809 | A | R1 CONH2 · R2 OMe · Ar 3-CN-phenyl | C19H15N5O2 | 345.4 | 2.87 | 113.9 | 0 | — | designed | |
| AFN-002810 | A | R1 CONH2 · R2 OMe · Ar 3,5-diF-phenyl | C18H14F2N4O2 | 356.3 | 3.27 | 90.1 | 1 | 7.00 | tested | |
| AFN-002811 | A | R1 CONH2 · R2 OMe · Ar Thiophen-2-yl | C16H14N4O2S | 326.4 | 3.06 | 90.1 | 0 | — | designed | |
| AFN-002812 | A | R1 CONH2 · R2 OMe · Ar Thiophen-3-yl | C16H14N4O2S | 326.4 | 3.06 | 90.1 | 0 | — | designed | |
| AFN-002813 | A | R1 CONH2 · R2 OMe · Ar Furan-3-yl | C16H14N4O3 | 310.3 | 2.59 | 103.3 | 0 | — | designed | |
| AFN-002814 | A | R1 CONH2 · R2 OMe · Ar 1-Me-pyrazol-4-yl | C16H16N6O2 | 324.3 | 1.73 | 108.0 | 0 | — | designed | |
| AFN-002815 | A | R1 CONH2 · R2 OMe · Ar 1-Me-indol-3-yl | C21H19N5O2 | 373.4 | 3.49 | 95.1 | 0 | — | designed | |
| AFN-002816 | A | R1 CONH2 · R2 OMe · Ar Naphthalen-2-yl | C22H18N4O2 | 370.4 | 4.15 | 90.1 | 0 | — | designed | |
| AFN-002817 | A | R1 CONH2 · R2 OMe · Ar Pyrimidin-5-yl | C16H14N6O2 | 322.3 | 1.78 | 115.9 | 0 | — | designed | |
| AFN-002818 | A | R1 CONH2 · R2 OMe · Ar Quinolin-3-yl | C21H17N5O2 | 371.4 | 3.54 | 103.0 | 0 | — | designed | |
| AFN-002819 | A | R1 CONH2 · R2 OMe · Ar 6-MeO-pyridin-3-yl | C18H17N5O3 | 351.4 | 2.40 | 112.3 | 0 | — | designed | |
| AFN-002820 | A | R1 ethynyl · R2 H · Ar Phenyl | C18H13N3 | 271.3 | 3.87 | 37.8 | 0 | — | designed | |
| AFN-002821 | A | R1 ethynyl · R2 H · Ar Pyridin-3-yl | C17H12N4 | 272.3 | 3.26 | 50.7 | 0 | — | designed | |
| AFN-002822 | A | R1 ethynyl · R2 H · Ar Pyridin-4-yl | C17H12N4 | 272.3 | 3.26 | 50.7 | 0 | — | designed | |
| AFN-002823 | A | R1 ethynyl · R2 H · Ar Pyridin-2-yl | C17H12N4 | 272.3 | 3.26 | 50.7 | 1 | 7.09 | tested | |
| AFN-002824 | A | R1 ethynyl · R2 H · Ar 3-F-phenyl | C18H12FN3 | 289.3 | 4.01 | 37.8 | 0 | — | designed | |
| AFN-002825 | A | R1 ethynyl · R2 H · Ar 4-F-phenyl | C18H12FN3 | 289.3 | 4.01 | 37.8 | 1 | 7.15 | tested | |
| AFN-002826 | A | R1 ethynyl · R2 H · Ar 3-Cl-phenyl | C18H12ClN3 | 305.8 | 4.52 | 37.8 | 0 | — | designed | |
| AFN-002827 | A | R1 ethynyl · R2 H · Ar 3-MeO-phenyl | C19H15N3O | 301.4 | 3.88 | 47.0 | 0 | — | designed | |
| AFN-002828 | A | R1 ethynyl · R2 H · Ar 2-MeO-phenyl | C19H15N3O | 301.4 | 3.88 | 47.0 | 1 | 6.72 | tested | |
| AFN-002829 | A | R1 ethynyl · R2 H · Ar 3-CN-phenyl | C19H12N4 | 296.3 | 3.74 | 61.6 | 0 | — | designed | |
| AFN-002830 | A | R1 ethynyl · R2 H · Ar 3,5-diF-phenyl | C18H11F2N3 | 307.3 | 4.15 | 37.8 | 0 | — | designed | |
| AFN-002831 | A | R1 ethynyl · R2 H · Ar Thiophen-2-yl | C16H11N3S | 277.4 | 3.93 | 37.8 | 0 | — | designed | |
| AFN-002832 | A | R1 ethynyl · R2 H · Ar Thiophen-3-yl | C16H11N3S | 277.4 | 3.93 | 37.8 | 0 | — | designed | |
| AFN-002833 | A | R1 ethynyl · R2 H · Ar Furan-3-yl | C16H11N3O | 261.3 | 3.46 | 51.0 | 0 | — | designed | |
| AFN-002834 | A | R1 ethynyl · R2 H · Ar 1-Me-pyrazol-4-yl | C16H13N5 | 275.3 | 2.60 | 55.6 | 0 | — | designed | |
| AFN-002835 | A | R1 ethynyl · R2 H · Ar 1-Me-indol-3-yl | C21H16N4 | 324.4 | 4.36 | 42.7 | 0 | — | designed | |
| AFN-002836 | A | R1 ethynyl · R2 H · Ar Naphthalen-2-yl | C22H15N3 | 321.4 | 5.02 | 37.8 | 0 | — | designed | |
| AFN-002837 | A | R1 ethynyl · R2 H · Ar Pyrimidin-5-yl | C16H11N5 | 273.3 | 2.66 | 63.6 | 0 | — | designed | |
| AFN-002838 | A | R1 ethynyl · R2 H · Ar Quinolin-3-yl | C21H14N4 | 322.4 | 4.42 | 50.7 | 0 | — | designed | |
| AFN-002839 | A | R1 ethynyl · R2 H · Ar 6-MeO-pyridin-3-yl | C18H14N4O | 302.3 | 3.27 | 59.9 | 0 | — | designed | |
| AFN-002840 | A | R1 ethynyl · R2 Me · Ar Phenyl | C19H15N3 | 285.4 | 4.18 | 37.8 | 0 | — | designed | |
| AFN-002841 | A | R1 ethynyl · R2 Me · Ar Pyridin-3-yl | C18H14N4 | 286.3 | 3.57 | 50.7 | 1 | 8.25 | tested | |
| AFN-002842 | A | R1 ethynyl · R2 Me · Ar Pyridin-4-yl | C18H14N4 | 286.3 | 3.57 | 50.7 | 1 | 7.99 | tested | |
| AFN-002843 | A | R1 ethynyl · R2 Me · Ar Pyridin-2-yl | C18H14N4 | 286.3 | 3.57 | 50.7 | 0 | — | designed | |
| AFN-002844 | A | R1 ethynyl · R2 Me · Ar 3-F-phenyl | C19H14FN3 | 303.3 | 4.32 | 37.8 | 0 | — | designed | |
| AFN-002845 | A | R1 ethynyl · R2 Me · Ar 4-F-phenyl | C19H14FN3 | 303.3 | 4.32 | 37.8 | 0 | — | designed | |
| AFN-002846 | A | R1 ethynyl · R2 Me · Ar 3-Cl-phenyl | C19H14ClN3 | 319.8 | 4.83 | 37.8 | 0 | — | designed | |
| AFN-002847 | A | R1 ethynyl · R2 Me · Ar 3-MeO-phenyl | C20H17N3O | 315.4 | 4.19 | 47.0 | 0 | — | designed | |
| AFN-002848 | A | R1 ethynyl · R2 Me · Ar 2-MeO-phenyl | C20H17N3O | 315.4 | 4.19 | 47.0 | 1 | 7.18 | tested | |
| AFN-002849 | A | R1 ethynyl · R2 Me · Ar 3-CN-phenyl | C20H14N4 | 310.4 | 4.05 | 61.6 | 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