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-000950 | A | R1 Et · R2 F · Ar 3,5-diF-phenyl | C18H14F3N3 | 329.3 | 4.87 | 37.8 | 0 | — | designed | |
| AFN-000951 | A | R1 Et · R2 F · Ar Thiophen-2-yl | C16H14FN3S | 299.4 | 4.65 | 37.8 | 0 | — | designed | |
| AFN-000952 | A | R1 Et · R2 F · Ar Thiophen-3-yl | C16H14FN3S | 299.4 | 4.65 | 37.8 | 0 | — | designed | |
| AFN-000953 | A | R1 Et · R2 F · Ar Furan-3-yl | C16H14FN3O | 283.3 | 4.18 | 51.0 | 1 | 7.13 | tested | |
| AFN-000954 | A | R1 Et · R2 F · Ar 1-Me-pyrazol-4-yl | C16H16FN5 | 297.3 | 3.32 | 55.6 | 0 | — | designed | |
| AFN-000955 | A | R1 Et · R2 F · Ar 1-Me-indol-3-yl | C21H19FN4 | 346.4 | 5.08 | 42.7 | 0 | — | designed | |
| AFN-000956 | A | R1 Et · R2 F · Ar Naphthalen-2-yl | C22H18FN3 | 343.4 | 5.74 | 37.8 | 0 | — | designed | |
| AFN-000957 | A | R1 Et · R2 F · Ar Pyrimidin-5-yl | C16H14FN5 | 295.3 | 3.38 | 63.6 | 0 | — | designed | |
| AFN-000958 | A | R1 Et · R2 F · Ar Quinolin-3-yl | C21H17FN4 | 344.4 | 5.14 | 50.7 | 0 | — | designed | |
| AFN-000959 | A | R1 Et · R2 F · Ar 6-MeO-pyridin-3-yl | C18H17FN4O | 324.4 | 3.99 | 59.9 | 0 | — | designed | |
| AFN-000960 | A | R1 Et · R2 Cl · Ar Phenyl | C18H16ClN3 | 309.8 | 5.10 | 37.8 | 0 | — | designed | |
| AFN-000961 | A | R1 Et · R2 Cl · Ar Pyridin-3-yl | C17H15ClN4 | 310.8 | 4.50 | 50.7 | 0 | — | designed | |
| AFN-000962 | A | R1 Et · R2 Cl · Ar Pyridin-4-yl | C17H15ClN4 | 310.8 | 4.50 | 50.7 | 0 | — | designed | |
| AFN-000963 | A | R1 Et · R2 Cl · Ar Pyridin-2-yl | C17H15ClN4 | 310.8 | 4.50 | 50.7 | 0 | — | designed | |
| AFN-000964 | A | R1 Et · R2 Cl · Ar 3-F-phenyl | C18H15ClFN3 | 327.8 | 5.24 | 37.8 | 0 | — | designed | |
| AFN-000965 | A | R1 Et · R2 Cl · Ar 4-F-phenyl | C18H15ClFN3 | 327.8 | 5.24 | 37.8 | 0 | — | designed | |
| AFN-000966 | A | R1 Et · R2 Cl · Ar 3-Cl-phenyl | C18H15Cl2N3 | 344.3 | 5.76 | 37.8 | 0 | — | designed | |
| AFN-000967 | A | R1 Et · R2 Cl · Ar 3-MeO-phenyl | C19H18ClN3O | 339.8 | 5.11 | 47.0 | 0 | — | designed | |
| AFN-000968 | A | R1 Et · R2 Cl · Ar 2-MeO-phenyl | C19H18ClN3O | 339.8 | 5.11 | 47.0 | 0 | — | designed | |
| AFN-000969 | A | R1 Et · R2 Cl · Ar 3-CN-phenyl | C19H15ClN4 | 334.8 | 4.97 | 61.6 | 0 | — | designed | |
| AFN-000970 | A | R1 Et · R2 Cl · Ar 3,5-diF-phenyl | C18H14ClF2N3 | 345.8 | 5.38 | 37.8 | 0 | — | designed | |
| AFN-000971 | A | R1 Et · R2 Cl · Ar Thiophen-2-yl | C16H14ClN3S | 315.8 | 5.16 | 37.8 | 0 | — | designed | |
| AFN-000972 | A | R1 Et · R2 Cl · Ar Thiophen-3-yl | C16H14ClN3S | 315.8 | 5.16 | 37.8 | 0 | — | designed | |
| AFN-000973 | A | R1 Et · R2 Cl · Ar Furan-3-yl | C16H14ClN3O | 299.8 | 4.70 | 51.0 | 0 | — | designed | |
| AFN-000974 | A | R1 Et · R2 Cl · Ar 1-Me-pyrazol-4-yl | C16H16ClN5 | 313.8 | 3.84 | 55.6 | 0 | — | designed | |
| AFN-000975 | A | R1 Et · R2 Cl · Ar 1-Me-indol-3-yl | C21H19ClN4 | 362.9 | 5.59 | 42.7 | 0 | — | designed | |
| AFN-000976 | A | R1 Et · R2 Cl · Ar Naphthalen-2-yl | C22H18ClN3 | 359.9 | 6.26 | 37.8 | 0 | — | designed | |
| AFN-000977 | A | R1 Et · R2 Cl · Ar Pyrimidin-5-yl | C16H14ClN5 | 311.8 | 3.89 | 63.6 | 0 | — | designed | |
| AFN-000978 | A | R1 Et · R2 Cl · Ar Quinolin-3-yl | C21H17ClN4 | 360.9 | 5.65 | 50.7 | 0 | — | designed | |
| AFN-000979 | A | R1 Et · R2 Cl · Ar 6-MeO-pyridin-3-yl | C18H17ClN4O | 340.8 | 4.51 | 59.9 | 0 | — | designed | |
| AFN-000980 | A | R1 Et · R2 Br · Ar Phenyl | C18H16BrN3 | 354.3 | 5.21 | 37.8 | 0 | — | designed | |
| AFN-000981 | A | R1 Et · R2 Br · Ar Pyridin-3-yl | C17H15BrN4 | 355.2 | 4.61 | 50.7 | 0 | — | designed | |
| AFN-000982 | A | R1 Et · R2 Br · Ar Pyridin-4-yl | C17H15BrN4 | 355.2 | 4.61 | 50.7 | 1 | 7.02 | tested | |
| AFN-000983 | A | R1 Et · R2 Br · Ar Pyridin-2-yl | C17H15BrN4 | 355.2 | 4.61 | 50.7 | 0 | — | designed | |
| AFN-000984 | A | R1 Et · R2 Br · Ar 3-F-phenyl | C18H15BrFN3 | 372.2 | 5.35 | 37.8 | 0 | — | designed | |
| AFN-000985 | A | R1 Et · R2 Br · Ar 4-F-phenyl | C18H15BrFN3 | 372.2 | 5.35 | 37.8 | 0 | — | designed | |
| AFN-000986 | A | R1 Et · R2 Br · Ar 3-Cl-phenyl | C18H15BrClN3 | 388.7 | 5.87 | 37.8 | 0 | — | designed | |
| AFN-000987 | A | R1 Et · R2 Br · Ar 3-MeO-phenyl | C19H18BrN3O | 384.3 | 5.22 | 47.0 | 0 | — | designed | |
| AFN-000988 | A | R1 Et · R2 Br · Ar 2-MeO-phenyl | C19H18BrN3O | 384.3 | 5.22 | 47.0 | 0 | — | designed | |
| AFN-000989 | A | R1 Et · R2 Br · Ar 3-CN-phenyl | C19H15BrN4 | 379.3 | 5.08 | 61.6 | 0 | — | designed | |
| AFN-000990 | A | R1 Et · R2 Br · Ar 3,5-diF-phenyl | C18H14BrF2N3 | 390.2 | 5.49 | 37.8 | 0 | — | designed | |
| AFN-000991 | A | R1 Et · R2 Br · Ar Thiophen-2-yl | C16H14BrN3S | 360.3 | 5.27 | 37.8 | 0 | — | designed | |
| AFN-000992 | A | R1 Et · R2 Br · Ar Thiophen-3-yl | C16H14BrN3S | 360.3 | 5.27 | 37.8 | 0 | — | designed | |
| AFN-000993 | A | R1 Et · R2 Br · Ar Furan-3-yl | C16H14BrN3O | 344.2 | 4.81 | 51.0 | 0 | — | designed | |
| AFN-000994 | A | R1 Et · R2 Br · Ar 1-Me-pyrazol-4-yl | C16H16BrN5 | 358.2 | 3.95 | 55.6 | 0 | — | designed | |
| AFN-000995 | A | R1 Et · R2 Br · Ar 1-Me-indol-3-yl | C21H19BrN4 | 407.3 | 5.70 | 42.7 | 0 | — | designed | |
| AFN-000996 | A | R1 Et · R2 Br · Ar Naphthalen-2-yl | C22H18BrN3 | 404.3 | 6.37 | 37.8 | 0 | — | designed | |
| AFN-000997 | A | R1 Et · R2 Br · Ar Pyrimidin-5-yl | C16H14BrN5 | 356.2 | 4.00 | 63.6 | 0 | — | designed | |
| AFN-000998 | A | R1 Et · R2 Br · Ar Quinolin-3-yl | C21H17BrN4 | 405.3 | 5.76 | 50.7 | 0 | — | designed | |
| AFN-000999 | A | R1 Et · R2 Br · Ar 6-MeO-pyridin-3-yl | C18H17BrN4O | 385.3 | 4.62 | 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