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-002000 | A | R1 CN · R2 OMe · Ar Phenyl | C18H14N4O | 302.3 | 3.77 | 70.8 | 0 | — | designed | |
| AFN-002001 | A | R1 CN · R2 OMe · Ar Pyridin-3-yl | C17H13N5O | 303.3 | 3.16 | 83.7 | 0 | — | designed | |
| AFN-002002 | A | R1 CN · R2 OMe · Ar Pyridin-4-yl | C17H13N5O | 303.3 | 3.16 | 83.7 | 0 | — | designed | |
| AFN-002003 | A | R1 CN · R2 OMe · Ar Pyridin-2-yl | C17H13N5O | 303.3 | 3.16 | 83.7 | 0 | — | designed | |
| AFN-002004 | A | R1 CN · R2 OMe · Ar 3-F-phenyl | C18H13FN4O | 320.3 | 3.91 | 70.8 | 0 | — | designed | |
| AFN-002005 | A | R1 CN · R2 OMe · Ar 4-F-phenyl | C18H13FN4O | 320.3 | 3.91 | 70.8 | 0 | — | designed | |
| AFN-002006 | A | R1 CN · R2 OMe · Ar 3-Cl-phenyl | C18H13ClN4O | 336.8 | 4.42 | 70.8 | 0 | — | designed | |
| AFN-002007 | A | R1 CN · R2 OMe · Ar 3-MeO-phenyl | C19H16N4O2 | 332.4 | 3.78 | 80.1 | 0 | — | designed | |
| AFN-002008 | A | R1 CN · R2 OMe · Ar 2-MeO-phenyl | C19H16N4O2 | 332.4 | 3.78 | 80.1 | 0 | — | designed | |
| AFN-002009 | A | R1 CN · R2 OMe · Ar 3-CN-phenyl | C19H13N5O | 327.4 | 3.64 | 94.6 | 0 | — | designed | |
| AFN-002010 | A | R1 CN · R2 OMe · Ar 3,5-diF-phenyl | C18H12F2N4O | 338.3 | 4.05 | 70.8 | 1 | 7.97 | tested | |
| AFN-002011 | A | R1 CN · R2 OMe · Ar Thiophen-2-yl | C16H12N4OS | 308.4 | 3.83 | 70.8 | 1 | 7.73 | tested | |
| AFN-002012 | A | R1 CN · R2 OMe · Ar Thiophen-3-yl | C16H12N4OS | 308.4 | 3.83 | 70.8 | 0 | — | designed | |
| AFN-002013 | A | R1 CN · R2 OMe · Ar Furan-3-yl | C16H12N4O2 | 292.3 | 3.36 | 84.0 | 0 | — | designed | |
| AFN-002014 | A | R1 CN · R2 OMe · Ar 1-Me-pyrazol-4-yl | C16H14N6O | 306.3 | 2.50 | 88.7 | 0 | — | designed | |
| AFN-002015 | A | R1 CN · R2 OMe · Ar 1-Me-indol-3-yl | C21H17N5O | 355.4 | 4.26 | 75.8 | 0 | — | designed | |
| AFN-002016 | A | R1 CN · R2 OMe · Ar Naphthalen-2-yl | C22H16N4O | 352.4 | 4.92 | 70.8 | 0 | — | designed | |
| AFN-002017 | A | R1 CN · R2 OMe · Ar Pyrimidin-5-yl | C16H12N6O | 304.3 | 2.56 | 96.6 | 0 | — | designed | |
| AFN-002018 | A | R1 CN · R2 OMe · Ar Quinolin-3-yl | C21H15N5O | 353.4 | 4.32 | 83.7 | 0 | — | designed | |
| AFN-002019 | A | R1 CN · R2 OMe · Ar 6-MeO-pyridin-3-yl | C18H15N5O2 | 333.4 | 3.17 | 93.0 | 0 | — | designed | |
| AFN-002020 | A | R1 NMe2 · R2 H · Ar Phenyl | C18H18N4 | 290.4 | 3.95 | 41.1 | 0 | — | designed | |
| AFN-002021 | A | R1 NMe2 · R2 H · Ar Pyridin-3-yl | C17H17N5 | 291.4 | 3.35 | 53.9 | 0 | — | designed | |
| AFN-002022 | A | R1 NMe2 · R2 H · Ar Pyridin-4-yl | C17H17N5 | 291.4 | 3.35 | 53.9 | 0 | — | designed | |
| AFN-002023 | A | R1 NMe2 · R2 H · Ar Pyridin-2-yl | C17H17N5 | 291.4 | 3.35 | 53.9 | 0 | — | designed | |
| AFN-002024 | A | R1 NMe2 · R2 H · Ar 3-F-phenyl | C18H17FN4 | 308.4 | 4.09 | 41.1 | 0 | — | designed | |
| AFN-002025 | A | R1 NMe2 · R2 H · Ar 4-F-phenyl | C18H17FN4 | 308.4 | 4.09 | 41.1 | 0 | — | designed | |
| AFN-002026 | A | R1 NMe2 · R2 H · Ar 3-Cl-phenyl | C18H17ClN4 | 324.8 | 4.61 | 41.1 | 0 | — | designed | |
| AFN-002027 | A | R1 NMe2 · R2 H · Ar 3-MeO-phenyl | C19H20N4O | 320.4 | 3.96 | 50.3 | 0 | — | designed | |
| AFN-002028 | A | R1 NMe2 · R2 H · Ar 2-MeO-phenyl | C19H20N4O | 320.4 | 3.96 | 50.3 | 0 | — | designed | |
| AFN-002029 | A | R1 NMe2 · R2 H · Ar 3-CN-phenyl | C19H17N5 | 315.4 | 3.82 | 64.8 | 0 | — | designed | |
| AFN-002030 | A | R1 NMe2 · R2 H · Ar 3,5-diF-phenyl | C18H16F2N4 | 326.4 | 4.23 | 41.1 | 0 | — | designed | |
| AFN-002031 | A | R1 NMe2 · R2 H · Ar Thiophen-2-yl | C16H16N4S | 296.4 | 4.01 | 41.1 | 1 | 7.13 | tested | |
| AFN-002032 | A | R1 NMe2 · R2 H · Ar Thiophen-3-yl | C16H16N4S | 296.4 | 4.01 | 41.1 | 0 | — | designed | |
| AFN-002033 | A | R1 NMe2 · R2 H · Ar Furan-3-yl | C16H16N4O | 280.3 | 3.55 | 54.2 | 1 | 7.19 | tested | |
| AFN-002034 | A | R1 NMe2 · R2 H · Ar 1-Me-pyrazol-4-yl | C16H18N6 | 294.4 | 2.69 | 58.9 | 0 | — | designed | |
| AFN-002035 | A | R1 NMe2 · R2 H · Ar 1-Me-indol-3-yl | C21H21N5 | 343.4 | 4.44 | 46.0 | 0 | — | designed | |
| AFN-002036 | A | R1 NMe2 · R2 H · Ar Naphthalen-2-yl | C22H20N4 | 340.4 | 5.11 | 41.1 | 0 | — | designed | |
| AFN-002037 | A | R1 NMe2 · R2 H · Ar Pyrimidin-5-yl | C16H16N6 | 292.4 | 2.74 | 66.8 | 0 | — | designed | |
| AFN-002038 | A | R1 NMe2 · R2 H · Ar Quinolin-3-yl | C21H19N5 | 341.4 | 4.50 | 53.9 | 0 | — | designed | |
| AFN-002039 | A | R1 NMe2 · R2 H · Ar 6-MeO-pyridin-3-yl | C18H19N5O | 321.4 | 3.36 | 63.2 | 0 | — | designed | |
| AFN-002040 | A | R1 NMe2 · R2 Me · Ar Phenyl | C19H20N4 | 304.4 | 4.26 | 41.1 | 0 | — | designed | |
| AFN-002041 | A | R1 NMe2 · R2 Me · Ar Pyridin-3-yl | C18H19N5 | 305.4 | 3.66 | 53.9 | 0 | — | designed | |
| AFN-002042 | A | R1 NMe2 · R2 Me · Ar Pyridin-4-yl | C18H19N5 | 305.4 | 3.66 | 53.9 | 0 | — | designed | |
| AFN-002043 | A | R1 NMe2 · R2 Me · Ar Pyridin-2-yl | C18H19N5 | 305.4 | 3.66 | 53.9 | 0 | — | designed | |
| AFN-002044 | A | R1 NMe2 · R2 Me · Ar 3-F-phenyl | C19H19FN4 | 322.4 | 4.40 | 41.1 | 0 | — | designed | |
| AFN-002045 | A | R1 NMe2 · R2 Me · Ar 4-F-phenyl | C19H19FN4 | 322.4 | 4.40 | 41.1 | 0 | — | designed | |
| AFN-002046 | A | R1 NMe2 · R2 Me · Ar 3-Cl-phenyl | C19H19ClN4 | 338.8 | 4.92 | 41.1 | 0 | — | designed | |
| AFN-002047 | A | R1 NMe2 · R2 Me · Ar 3-MeO-phenyl | C20H22N4O | 334.4 | 4.27 | 50.3 | 0 | — | designed | |
| AFN-002048 | A | R1 NMe2 · R2 Me · Ar 2-MeO-phenyl | C20H22N4O | 334.4 | 4.27 | 50.3 | 0 | — | designed | |
| AFN-002049 | A | R1 NMe2 · R2 Me · Ar 3-CN-phenyl | C20H19N5 | 329.4 | 4.13 | 64.8 | 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