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-003050 | A | R1 cyclopropyl · R2 Cl · Ar 3,5-diF-phenyl | C19H14ClF2N3 | 357.8 | 5.70 | 37.8 | 0 | — | designed | |
| AFN-003051 | A | R1 cyclopropyl · R2 Cl · Ar Thiophen-2-yl | C17H14ClN3S | 327.8 | 5.48 | 37.8 | 0 | — | designed | |
| AFN-003052 | A | R1 cyclopropyl · R2 Cl · Ar Thiophen-3-yl | C17H14ClN3S | 327.8 | 5.48 | 37.8 | 0 | — | designed | |
| AFN-003053 | A | R1 cyclopropyl · R2 Cl · Ar Furan-3-yl | C17H14ClN3O | 311.8 | 5.01 | 51.0 | 0 | — | designed | |
| AFN-003054 | A | R1 cyclopropyl · R2 Cl · Ar 1-Me-pyrazol-4-yl | C17H16ClN5 | 325.8 | 4.15 | 55.6 | 0 | — | designed | |
| AFN-003055 | A | R1 cyclopropyl · R2 Cl · Ar 1-Me-indol-3-yl | C22H19ClN4 | 374.9 | 5.91 | 42.7 | 0 | — | designed | |
| AFN-003056 | A | R1 cyclopropyl · R2 Cl · Ar Naphthalen-2-yl | C23H18ClN3 | 371.9 | 6.57 | 37.8 | 0 | — | designed | |
| AFN-003057 | A | R1 cyclopropyl · R2 Cl · Ar Pyrimidin-5-yl | C17H14ClN5 | 323.8 | 4.21 | 63.6 | 0 | — | designed | |
| AFN-003058 | A | R1 cyclopropyl · R2 Cl · Ar Quinolin-3-yl | C22H17ClN4 | 372.9 | 5.97 | 50.7 | 0 | — | designed | |
| AFN-003059 | A | R1 cyclopropyl · R2 Cl · Ar 6-MeO-pyridin-3-yl | C19H17ClN4O | 352.8 | 4.82 | 59.9 | 0 | — | designed | |
| AFN-003060 | A | R1 cyclopropyl · R2 Br · Ar Phenyl | C19H16BrN3 | 366.3 | 5.53 | 37.8 | 0 | — | designed | |
| AFN-003061 | A | R1 cyclopropyl · R2 Br · Ar Pyridin-3-yl | C18H15BrN4 | 367.3 | 4.92 | 50.7 | 0 | — | designed | |
| AFN-003062 | A | R1 cyclopropyl · R2 Br · Ar Pyridin-4-yl | C18H15BrN4 | 367.3 | 4.92 | 50.7 | 1 | 7.08 | tested | |
| AFN-003063 | A | R1 cyclopropyl · R2 Br · Ar Pyridin-2-yl | C18H15BrN4 | 367.3 | 4.92 | 50.7 | 0 | — | designed | |
| AFN-003064 | A | R1 cyclopropyl · R2 Br · Ar 3-F-phenyl | C19H15BrFN3 | 384.3 | 5.67 | 37.8 | 0 | — | designed | |
| AFN-003065 | A | R1 cyclopropyl · R2 Br · Ar 4-F-phenyl | C19H15BrFN3 | 384.3 | 5.67 | 37.8 | 0 | — | designed | |
| AFN-003066 | A | R1 cyclopropyl · R2 Br · Ar 3-Cl-phenyl | C19H15BrClN3 | 400.7 | 6.18 | 37.8 | 0 | — | designed | |
| AFN-003067 | A | R1 cyclopropyl · R2 Br · Ar 3-MeO-phenyl | C20H18BrN3O | 396.3 | 5.54 | 47.0 | 1 | 7.31 | tested | |
| AFN-003068 | A | R1 cyclopropyl · R2 Br · Ar 2-MeO-phenyl | C20H18BrN3O | 396.3 | 5.54 | 47.0 | 0 | — | designed | |
| AFN-003069 | A | R1 cyclopropyl · R2 Br · Ar 3-CN-phenyl | C20H15BrN4 | 391.3 | 5.40 | 61.6 | 0 | — | designed | |
| AFN-003070 | A | R1 cyclopropyl · R2 Br · Ar 3,5-diF-phenyl | C19H14BrF2N3 | 402.2 | 5.81 | 37.8 | 0 | — | designed | |
| AFN-003071 | A | R1 cyclopropyl · R2 Br · Ar Thiophen-2-yl | C17H14BrN3S | 372.3 | 5.59 | 37.8 | 0 | — | designed | |
| AFN-003072 | A | R1 cyclopropyl · R2 Br · Ar Thiophen-3-yl | C17H14BrN3S | 372.3 | 5.59 | 37.8 | 0 | — | designed | |
| AFN-003073 | A | R1 cyclopropyl · R2 Br · Ar Furan-3-yl | C17H14BrN3O | 356.2 | 5.12 | 51.0 | 0 | — | designed | |
| AFN-003074 | A | R1 cyclopropyl · R2 Br · Ar 1-Me-pyrazol-4-yl | C17H16BrN5 | 370.3 | 4.26 | 55.6 | 0 | — | designed | |
| AFN-003075 | A | R1 cyclopropyl · R2 Br · Ar 1-Me-indol-3-yl | C22H19BrN4 | 419.3 | 6.02 | 42.7 | 0 | — | designed | |
| AFN-003076 | A | R1 cyclopropyl · R2 Br · Ar Naphthalen-2-yl | C23H18BrN3 | 416.3 | 6.68 | 37.8 | 0 | — | designed | |
| AFN-003077 | A | R1 cyclopropyl · R2 Br · Ar Pyrimidin-5-yl | C17H14BrN5 | 368.2 | 4.32 | 63.6 | 0 | — | designed | |
| AFN-003078 | A | R1 cyclopropyl · R2 Br · Ar Quinolin-3-yl | C22H17BrN4 | 417.3 | 6.08 | 50.7 | 0 | — | designed | |
| AFN-003079 | A | R1 cyclopropyl · R2 Br · Ar 6-MeO-pyridin-3-yl | C19H17BrN4O | 397.3 | 4.93 | 59.9 | 0 | — | designed | |
| AFN-003080 | A | R1 cyclopropyl · R2 CF3 · Ar Phenyl | C20H16F3N3 | 355.4 | 5.78 | 37.8 | 0 | — | designed | |
| AFN-003081 | A | R1 cyclopropyl · R2 CF3 · Ar Pyridin-3-yl | C19H15F3N4 | 356.4 | 5.18 | 50.7 | 0 | — | designed | |
| AFN-003082 | A | R1 cyclopropyl · R2 CF3 · Ar Pyridin-4-yl | C19H15F3N4 | 356.4 | 5.18 | 50.7 | 0 | — | designed | |
| AFN-003083 | A | R1 cyclopropyl · R2 CF3 · Ar Pyridin-2-yl | C19H15F3N4 | 356.4 | 5.18 | 50.7 | 0 | — | designed | |
| AFN-003084 | A | R1 cyclopropyl · R2 CF3 · Ar 3-F-phenyl | C20H15F4N3 | 373.4 | 5.92 | 37.8 | 0 | — | designed | |
| AFN-003085 | A | R1 cyclopropyl · R2 CF3 · Ar 4-F-phenyl | C20H15F4N3 | 373.4 | 5.92 | 37.8 | 0 | — | designed | |
| AFN-003086 | A | R1 cyclopropyl · R2 CF3 · Ar 3-Cl-phenyl | C20H15ClF3N3 | 389.8 | 6.44 | 37.8 | 0 | — | designed | |
| AFN-003087 | A | R1 cyclopropyl · R2 CF3 · Ar 3-MeO-phenyl | C21H18F3N3O | 385.4 | 5.79 | 47.0 | 0 | — | designed | |
| AFN-003088 | A | R1 cyclopropyl · R2 CF3 · Ar 2-MeO-phenyl | C21H18F3N3O | 385.4 | 5.79 | 47.0 | 0 | — | designed | |
| AFN-003089 | A | R1 cyclopropyl · R2 CF3 · Ar 3-CN-phenyl | C21H15F3N4 | 380.4 | 5.66 | 61.6 | 0 | — | designed | |
| AFN-003090 | A | R1 cyclopropyl · R2 CF3 · Ar 3,5-diF-phenyl | C20H14F5N3 | 391.3 | 6.06 | 37.8 | 0 | — | designed | |
| AFN-003091 | A | R1 cyclopropyl · R2 CF3 · Ar Thiophen-2-yl | C18H14F3N3S | 361.4 | 5.84 | 37.8 | 0 | — | designed | |
| AFN-003092 | A | R1 cyclopropyl · R2 CF3 · Ar Thiophen-3-yl | C18H14F3N3S | 361.4 | 5.84 | 37.8 | 0 | — | designed | |
| AFN-003093 | A | R1 cyclopropyl · R2 CF3 · Ar Furan-3-yl | C18H14F3N3O | 345.3 | 5.38 | 51.0 | 0 | — | designed | |
| AFN-003094 | A | R1 cyclopropyl · R2 CF3 · Ar 1-Me-pyrazol-4-yl | C18H16F3N5 | 359.4 | 4.52 | 55.6 | 0 | — | designed | |
| AFN-003095 | A | R1 cyclopropyl · R2 CF3 · Ar 1-Me-indol-3-yl | C23H19F3N4 | 408.4 | 6.28 | 42.7 | 0 | — | designed | |
| AFN-003096 | A | R1 cyclopropyl · R2 CF3 · Ar Naphthalen-2-yl | C24H18F3N3 | 405.4 | 6.94 | 37.8 | 0 | — | designed | |
| AFN-003097 | A | R1 cyclopropyl · R2 CF3 · Ar Pyrimidin-5-yl | C18H14F3N5 | 357.3 | 4.57 | 63.6 | 0 | — | designed | |
| AFN-003098 | A | R1 cyclopropyl · R2 CF3 · Ar Quinolin-3-yl | C23H17F3N4 | 406.4 | 6.33 | 50.7 | 1 | 7.33 | tested | |
| AFN-003099 | A | R1 cyclopropyl · R2 CF3 · Ar 6-MeO-pyridin-3-yl | C20H17F3N4O | 386.4 | 5.19 | 59.9 | 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