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-003000 | A | R1 cyclopropyl · R2 Me · Ar Phenyl | C20H19N3 | 301.4 | 5.07 | 37.8 | 0 | — | designed | |
| AFN-003001 | A | R1 cyclopropyl · R2 Me · Ar Pyridin-3-yl | C19H18N4 | 302.4 | 4.47 | 50.7 | 0 | — | designed | |
| AFN-003002 | A | R1 cyclopropyl · R2 Me · Ar Pyridin-4-yl | C19H18N4 | 302.4 | 4.47 | 50.7 | 0 | — | designed | |
| AFN-003003 | A | R1 cyclopropyl · R2 Me · Ar Pyridin-2-yl | C19H18N4 | 302.4 | 4.47 | 50.7 | 0 | — | designed | |
| AFN-003004 | A | R1 cyclopropyl · R2 Me · Ar 3-F-phenyl | C20H18FN3 | 319.4 | 5.21 | 37.8 | 0 | — | designed | |
| AFN-003005 | A | R1 cyclopropyl · R2 Me · Ar 4-F-phenyl | C20H18FN3 | 319.4 | 5.21 | 37.8 | 1 | 7.47 | tested | |
| AFN-003006 | A | R1 cyclopropyl · R2 Me · Ar 3-Cl-phenyl | C20H18ClN3 | 335.8 | 5.73 | 37.8 | 0 | — | designed | |
| AFN-003007 | A | R1 cyclopropyl · R2 Me · Ar 3-MeO-phenyl | C21H21N3O | 331.4 | 5.08 | 47.0 | 0 | — | designed | |
| AFN-003008 | A | R1 cyclopropyl · R2 Me · Ar 2-MeO-phenyl | C21H21N3O | 331.4 | 5.08 | 47.0 | 0 | — | designed | |
| AFN-003009 | A | R1 cyclopropyl · R2 Me · Ar 3-CN-phenyl | C21H18N4 | 326.4 | 4.94 | 61.6 | 0 | — | designed | |
| AFN-003010 | A | R1 cyclopropyl · R2 Me · Ar 3,5-diF-phenyl | C20H17F2N3 | 337.4 | 5.35 | 37.8 | 0 | — | designed | |
| AFN-003011 | A | R1 cyclopropyl · R2 Me · Ar Thiophen-2-yl | C18H17N3S | 307.4 | 5.13 | 37.8 | 0 | — | designed | |
| AFN-003012 | A | R1 cyclopropyl · R2 Me · Ar Thiophen-3-yl | C18H17N3S | 307.4 | 5.13 | 37.8 | 0 | — | designed | |
| AFN-003013 | A | R1 cyclopropyl · R2 Me · Ar Furan-3-yl | C18H17N3O | 291.4 | 4.67 | 51.0 | 0 | — | designed | |
| AFN-003014 | A | R1 cyclopropyl · R2 Me · Ar 1-Me-pyrazol-4-yl | C18H19N5 | 305.4 | 3.81 | 55.6 | 0 | — | designed | |
| AFN-003015 | A | R1 cyclopropyl · R2 Me · Ar 1-Me-indol-3-yl | C23H22N4 | 354.5 | 5.56 | 42.7 | 0 | — | designed | |
| AFN-003016 | A | R1 cyclopropyl · R2 Me · Ar Naphthalen-2-yl | C24H21N3 | 351.4 | 6.23 | 37.8 | 1 | 6.96 | tested | |
| AFN-003017 | A | R1 cyclopropyl · R2 Me · Ar Pyrimidin-5-yl | C18H17N5 | 303.4 | 3.86 | 63.6 | 1 | 7.77 | tested | |
| AFN-003018 | A | R1 cyclopropyl · R2 Me · Ar Quinolin-3-yl | C23H20N4 | 352.4 | 5.62 | 50.7 | 1 | 7.84 | tested | |
| AFN-003019 | A | R1 cyclopropyl · R2 Me · Ar 6-MeO-pyridin-3-yl | C20H20N4O | 332.4 | 4.48 | 59.9 | 0 | — | designed | |
| AFN-003020 | A | R1 cyclopropyl · R2 F · Ar Phenyl | C19H16FN3 | 305.4 | 4.90 | 37.8 | 0 | — | designed | |
| AFN-003021 | A | R1 cyclopropyl · R2 F · Ar Pyridin-3-yl | C18H15FN4 | 306.3 | 4.30 | 50.7 | 0 | — | designed | |
| AFN-003022 | A | R1 cyclopropyl · R2 F · Ar Pyridin-4-yl | C18H15FN4 | 306.3 | 4.30 | 50.7 | 0 | — | designed | |
| AFN-003023 | A | R1 cyclopropyl · R2 F · Ar Pyridin-2-yl | C18H15FN4 | 306.3 | 4.30 | 50.7 | 0 | — | designed | |
| AFN-003024 | A | R1 cyclopropyl · R2 F · Ar 3-F-phenyl | C19H15F2N3 | 323.4 | 5.04 | 37.8 | 0 | — | designed | |
| AFN-003025 | A | R1 cyclopropyl · R2 F · Ar 4-F-phenyl | C19H15F2N3 | 323.4 | 5.04 | 37.8 | 0 | — | designed | |
| AFN-003026 | A | R1 cyclopropyl · R2 F · Ar 3-Cl-phenyl | C19H15ClFN3 | 339.8 | 5.56 | 37.8 | 0 | — | designed | |
| AFN-003027 | A | R1 cyclopropyl · R2 F · Ar 3-MeO-phenyl | C20H18FN3O | 335.4 | 4.91 | 47.0 | 0 | — | designed | |
| AFN-003028 | A | R1 cyclopropyl · R2 F · Ar 2-MeO-phenyl | C20H18FN3O | 335.4 | 4.91 | 47.0 | 0 | — | designed | |
| AFN-003029 | A | R1 cyclopropyl · R2 F · Ar 3-CN-phenyl | C20H15FN4 | 330.4 | 4.78 | 61.6 | 0 | — | designed | |
| AFN-003030 | A | R1 cyclopropyl · R2 F · Ar 3,5-diF-phenyl | C19H14F3N3 | 341.3 | 5.18 | 37.8 | 0 | — | designed | |
| AFN-003031 | A | R1 cyclopropyl · R2 F · Ar Thiophen-2-yl | C17H14FN3S | 311.4 | 4.97 | 37.8 | 0 | — | designed | |
| AFN-003032 | A | R1 cyclopropyl · R2 F · Ar Thiophen-3-yl | C17H14FN3S | 311.4 | 4.97 | 37.8 | 1 | 6.96 | tested | |
| AFN-003033 | A | R1 cyclopropyl · R2 F · Ar Furan-3-yl | C17H14FN3O | 295.3 | 4.50 | 51.0 | 0 | — | designed | |
| AFN-003034 | A | R1 cyclopropyl · R2 F · Ar 1-Me-pyrazol-4-yl | C17H16FN5 | 309.4 | 3.64 | 55.6 | 1 | 7.28 | tested | |
| AFN-003035 | A | R1 cyclopropyl · R2 F · Ar 1-Me-indol-3-yl | C22H19FN4 | 358.4 | 5.40 | 42.7 | 0 | — | designed | |
| AFN-003036 | A | R1 cyclopropyl · R2 F · Ar Naphthalen-2-yl | C23H18FN3 | 355.4 | 6.06 | 37.8 | 0 | — | designed | |
| AFN-003037 | A | R1 cyclopropyl · R2 F · Ar Pyrimidin-5-yl | C17H14FN5 | 307.3 | 3.69 | 63.6 | 0 | — | designed | |
| AFN-003038 | A | R1 cyclopropyl · R2 F · Ar Quinolin-3-yl | C22H17FN4 | 356.4 | 5.45 | 50.7 | 0 | — | designed | |
| AFN-003039 | A | R1 cyclopropyl · R2 F · Ar 6-MeO-pyridin-3-yl | C19H17FN4O | 336.4 | 4.31 | 59.9 | 0 | — | designed | |
| AFN-003040 | A | R1 cyclopropyl · R2 Cl · Ar Phenyl | C19H16ClN3 | 321.8 | 5.42 | 37.8 | 0 | — | designed | |
| AFN-003041 | A | R1 cyclopropyl · R2 Cl · Ar Pyridin-3-yl | C18H15ClN4 | 322.8 | 4.81 | 50.7 | 1 | 7.78 | tested | |
| AFN-003042 | A | R1 cyclopropyl · R2 Cl · Ar Pyridin-4-yl | C18H15ClN4 | 322.8 | 4.81 | 50.7 | 0 | — | designed | |
| AFN-003043 | A | R1 cyclopropyl · R2 Cl · Ar Pyridin-2-yl | C18H15ClN4 | 322.8 | 4.81 | 50.7 | 1 | 7.33 | tested | |
| AFN-003044 | A | R1 cyclopropyl · R2 Cl · Ar 3-F-phenyl | C19H15ClFN3 | 339.8 | 5.56 | 37.8 | 1 | 7.34 | tested | |
| AFN-003045 | A | R1 cyclopropyl · R2 Cl · Ar 4-F-phenyl | C19H15ClFN3 | 339.8 | 5.56 | 37.8 | 0 | — | designed | |
| AFN-003046 | A | R1 cyclopropyl · R2 Cl · Ar 3-Cl-phenyl | C19H15Cl2N3 | 356.3 | 6.07 | 37.8 | 0 | — | designed | |
| AFN-003047 | A | R1 cyclopropyl · R2 Cl · Ar 3-MeO-phenyl | C20H18ClN3O | 351.8 | 5.43 | 47.0 | 0 | — | designed | |
| AFN-003048 | A | R1 cyclopropyl · R2 Cl · Ar 2-MeO-phenyl | C20H18ClN3O | 351.8 | 5.43 | 47.0 | 0 | — | designed | |
| AFN-003049 | A | R1 cyclopropyl · R2 Cl · Ar 3-CN-phenyl | C20H15ClN4 | 346.8 | 5.29 | 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