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-001000 | A | R1 Et · R2 CF3 · Ar Phenyl | C19H16F3N3 | 343.4 | 5.47 | 37.8 | 0 | — | designed | |
| AFN-001001 | A | R1 Et · R2 CF3 · Ar Pyridin-3-yl | C18H15F3N4 | 344.3 | 4.86 | 50.7 | 1 | 7.26 | tested | |
| AFN-001002 | A | R1 Et · R2 CF3 · Ar Pyridin-4-yl | C18H15F3N4 | 344.3 | 4.86 | 50.7 | 0 | — | designed | |
| AFN-001003 | A | R1 Et · R2 CF3 · Ar Pyridin-2-yl | C18H15F3N4 | 344.3 | 4.86 | 50.7 | 1 | 6.68 | tested | |
| AFN-001004 | A | R1 Et · R2 CF3 · Ar 3-F-phenyl | C19H15F4N3 | 361.3 | 5.61 | 37.8 | 0 | — | designed | |
| AFN-001005 | A | R1 Et · R2 CF3 · Ar 4-F-phenyl | C19H15F4N3 | 361.3 | 5.61 | 37.8 | 0 | — | designed | |
| AFN-001006 | A | R1 Et · R2 CF3 · Ar 3-Cl-phenyl | C19H15ClF3N3 | 377.8 | 6.12 | 37.8 | 0 | — | designed | |
| AFN-001007 | A | R1 Et · R2 CF3 · Ar 3-MeO-phenyl | C20H18F3N3O | 373.4 | 5.48 | 47.0 | 1 | 7.00 | tested | |
| AFN-001008 | A | R1 Et · R2 CF3 · Ar 2-MeO-phenyl | C20H18F3N3O | 373.4 | 5.48 | 47.0 | 0 | — | designed | |
| AFN-001009 | A | R1 Et · R2 CF3 · Ar 3-CN-phenyl | C20H15F3N4 | 368.4 | 5.34 | 61.6 | 0 | — | designed | |
| AFN-001010 | A | R1 Et · R2 CF3 · Ar 3,5-diF-phenyl | C19H14F5N3 | 379.3 | 5.75 | 37.8 | 0 | — | designed | |
| AFN-001011 | A | R1 Et · R2 CF3 · Ar Thiophen-2-yl | C17H14F3N3S | 349.4 | 5.53 | 37.8 | 1 | 6.70 | tested | |
| AFN-001012 | A | R1 Et · R2 CF3 · Ar Thiophen-3-yl | C17H14F3N3S | 349.4 | 5.53 | 37.8 | 0 | — | designed | |
| AFN-001013 | A | R1 Et · R2 CF3 · Ar Furan-3-yl | C17H14F3N3O | 333.3 | 5.06 | 51.0 | 0 | — | designed | |
| AFN-001014 | A | R1 Et · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C17H16F3N5 | 347.3 | 4.20 | 55.6 | 0 | — | designed | |
| AFN-001015 | A | R1 Et · R2 CF3 · Ar 1-Me-indol-3-yl | C22H19F3N4 | 396.4 | 5.96 | 42.7 | 0 | — | designed | |
| AFN-001016 | A | R1 Et · R2 CF3 · Ar Naphthalen-2-yl | C23H18F3N3 | 393.4 | 6.62 | 37.8 | 0 | — | designed | |
| AFN-001017 | A | R1 Et · R2 CF3 · Ar Pyrimidin-5-yl | C17H14F3N5 | 345.3 | 4.26 | 63.6 | 0 | — | designed | |
| AFN-001018 | A | R1 Et · R2 CF3 · Ar Quinolin-3-yl | C22H17F3N4 | 394.4 | 6.02 | 50.7 | 0 | — | designed | |
| AFN-001019 | A | R1 Et · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C19H17F3N4O | 374.4 | 4.87 | 59.9 | 0 | — | designed | |
| AFN-001020 | A | R1 Et · R2 CN · Ar Phenyl | C19H16N4 | 300.4 | 4.32 | 61.6 | 1 | — | tested | |
| AFN-001021 | A | R1 Et · R2 CN · Ar Pyridin-3-yl | C18H15N5 | 301.4 | 3.72 | 74.5 | 0 | — | designed | |
| AFN-001022 | A | R1 Et · R2 CN · Ar Pyridin-4-yl | C18H15N5 | 301.4 | 3.72 | 74.5 | 0 | — | designed | |
| AFN-001023 | A | R1 Et · R2 CN · Ar Pyridin-2-yl | C18H15N5 | 301.4 | 3.72 | 74.5 | 0 | — | designed | |
| AFN-001024 | A | R1 Et · R2 CN · Ar 3-F-phenyl | C19H15FN4 | 318.4 | 4.46 | 61.6 | 0 | — | designed | |
| AFN-001025 | A | R1 Et · R2 CN · Ar 4-F-phenyl | C19H15FN4 | 318.4 | 4.46 | 61.6 | 0 | — | designed | |
| AFN-001026 | A | R1 Et · R2 CN · Ar 3-Cl-phenyl | C19H15ClN4 | 334.8 | 4.97 | 61.6 | 0 | — | designed | |
| AFN-001027 | A | R1 Et · R2 CN · Ar 3-MeO-phenyl | C20H18N4O | 330.4 | 4.33 | 70.8 | 0 | — | designed | |
| AFN-001028 | A | R1 Et · R2 CN · Ar 2-MeO-phenyl | C20H18N4O | 330.4 | 4.33 | 70.8 | 0 | — | designed | |
| AFN-001029 | A | R1 Et · R2 CN · Ar 3-CN-phenyl | C20H15N5 | 325.4 | 4.19 | 85.4 | 0 | — | designed | |
| AFN-001030 | A | R1 Et · R2 CN · Ar 3,5-diF-phenyl | C19H14F2N4 | 336.4 | 4.60 | 61.6 | 0 | — | designed | |
| AFN-001031 | A | R1 Et · R2 CN · Ar Thiophen-2-yl | C17H14N4S | 306.4 | 4.38 | 61.6 | 0 | — | designed | |
| AFN-001032 | A | R1 Et · R2 CN · Ar Thiophen-3-yl | C17H14N4S | 306.4 | 4.38 | 61.6 | 0 | — | designed | |
| AFN-001033 | A | R1 Et · R2 CN · Ar Furan-3-yl | C17H14N4O | 290.3 | 3.91 | 74.7 | 0 | — | designed | |
| AFN-001034 | A | R1 Et · R2 CN · Ar 1-Me-pyrazol-4-yl | C17H16N6 | 304.4 | 3.05 | 79.4 | 0 | — | designed | |
| AFN-001035 | A | R1 Et · R2 CN · Ar 1-Me-indol-3-yl | C22H19N5 | 353.4 | 4.81 | 66.5 | 0 | — | designed | |
| AFN-001036 | A | R1 Et · R2 CN · Ar Naphthalen-2-yl | C23H18N4 | 350.4 | 5.47 | 61.6 | 1 | — | tested | |
| AFN-001037 | A | R1 Et · R2 CN · Ar Pyrimidin-5-yl | C17H14N6 | 302.3 | 3.11 | 87.4 | 1 | — | tested | |
| AFN-001038 | A | R1 Et · R2 CN · Ar Quinolin-3-yl | C22H17N5 | 351.4 | 4.87 | 74.5 | 0 | — | designed | |
| AFN-001039 | A | R1 Et · R2 CN · Ar 6-MeO-pyridin-3-yl | C19H17N5O | 331.4 | 3.72 | 83.7 | 0 | — | designed | |
| AFN-001040 | A | R1 Et · R2 OMe · Ar Phenyl | C19H19N3O | 305.4 | 4.46 | 47.0 | 0 | — | designed | |
| AFN-001041 | A | R1 Et · R2 OMe · Ar Pyridin-3-yl | C18H18N4O | 306.4 | 3.85 | 59.9 | 0 | — | designed | |
| AFN-001042 | A | R1 Et · R2 OMe · Ar Pyridin-4-yl | C18H18N4O | 306.4 | 3.85 | 59.9 | 0 | — | designed | |
| AFN-001043 | A | R1 Et · R2 OMe · Ar Pyridin-2-yl | C18H18N4O | 306.4 | 3.85 | 59.9 | 1 | — | tested | |
| AFN-001044 | A | R1 Et · R2 OMe · Ar 3-F-phenyl | C19H18FN3O | 323.4 | 4.60 | 47.0 | 0 | — | designed | |
| AFN-001045 | A | R1 Et · R2 OMe · Ar 4-F-phenyl | C19H18FN3O | 323.4 | 4.60 | 47.0 | 0 | — | designed | |
| AFN-001046 | A | R1 Et · R2 OMe · Ar 3-Cl-phenyl | C19H18ClN3O | 339.8 | 5.11 | 47.0 | 0 | — | designed | |
| AFN-001047 | A | R1 Et · R2 OMe · Ar 3-MeO-phenyl | C20H21N3O2 | 335.4 | 4.47 | 56.3 | 1 | 6.89 | tested | |
| AFN-001048 | A | R1 Et · R2 OMe · Ar 2-MeO-phenyl | C20H21N3O2 | 335.4 | 4.47 | 56.3 | 0 | — | designed | |
| AFN-001049 | A | R1 Et · R2 OMe · Ar 3-CN-phenyl | C20H18N4O | 330.4 | 4.33 | 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