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-000750 | A | R1 Me · R2 H · Ar 3,5-diF-phenyl | C17H13F2N3 | 297.3 | 4.47 | 37.8 | 0 | — | designed | |
| AFN-000751 | A | R1 Me · R2 H · Ar Thiophen-2-yl | C15H13N3S | 267.4 | 4.26 | 37.8 | 0 | — | designed | |
| AFN-000752 | A | R1 Me · R2 H · Ar Thiophen-3-yl | C15H13N3S | 267.4 | 4.26 | 37.8 | 0 | — | designed | |
| AFN-000753 | A | R1 Me · R2 H · Ar Furan-3-yl | C15H13N3O | 251.3 | 3.79 | 51.0 | 1 | — | tested | |
| AFN-000754 | A | R1 Me · R2 H · Ar 1-Me-pyrazol-4-yl | C15H15N5 | 265.3 | 2.93 | 55.6 | 0 | — | designed | |
| AFN-000755 | A | R1 Me · R2 H · Ar 1-Me-indol-3-yl | C20H18N4 | 314.4 | 4.69 | 42.7 | 0 | — | designed | |
| AFN-000756 | A | R1 Me · R2 H · Ar Naphthalen-2-yl | C21H17N3 | 311.4 | 5.35 | 37.8 | 0 | — | designed | |
| AFN-000757 | A | R1 Me · R2 H · Ar Pyrimidin-5-yl | C15H13N5 | 263.3 | 2.99 | 63.6 | 0 | — | designed | |
| AFN-000758 | A | R1 Me · R2 H · Ar Quinolin-3-yl | C20H16N4 | 312.4 | 4.74 | 50.7 | 0 | — | designed | |
| AFN-000759 | A | R1 Me · R2 H · Ar 6-MeO-pyridin-3-yl | C17H16N4O | 292.3 | 3.60 | 59.9 | 0 | — | designed | |
| AFN-000760 | A | R1 Me · R2 Me · Ar Phenyl | C18H17N3 | 275.4 | 4.50 | 37.8 | 0 | — | designed | |
| AFN-000761 | A | R1 Me · R2 Me · Ar Pyridin-3-yl | C17H16N4 | 276.3 | 3.90 | 50.7 | 0 | — | designed | |
| AFN-000762 | A | R1 Me · R2 Me · Ar Pyridin-4-yl | C17H16N4 | 276.3 | 3.90 | 50.7 | 0 | — | designed | |
| AFN-000763 | A | R1 Me · R2 Me · Ar Pyridin-2-yl | C17H16N4 | 276.3 | 3.90 | 50.7 | 0 | — | designed | |
| AFN-000764 | A | R1 Me · R2 Me · Ar 3-F-phenyl | C18H16FN3 | 293.4 | 4.64 | 37.8 | 0 | — | designed | |
| AFN-000765 | A | R1 Me · R2 Me · Ar 4-F-phenyl | C18H16FN3 | 293.4 | 4.64 | 37.8 | 1 | 7.37 | tested | |
| AFN-000766 | A | R1 Me · R2 Me · Ar 3-Cl-phenyl | C18H16ClN3 | 309.8 | 5.16 | 37.8 | 0 | — | designed | |
| AFN-000767 | A | R1 Me · R2 Me · Ar 3-MeO-phenyl | C19H19N3O | 305.4 | 4.51 | 47.0 | 0 | — | designed | |
| AFN-000768 | A | R1 Me · R2 Me · Ar 2-MeO-phenyl | C19H19N3O | 305.4 | 4.51 | 47.0 | 1 | 7.12 | tested | |
| AFN-000769 | A | R1 Me · R2 Me · Ar 3-CN-phenyl | C19H16N4 | 300.4 | 4.38 | 61.6 | 0 | — | designed | |
| AFN-000770 | A | R1 Me · R2 Me · Ar 3,5-diF-phenyl | C18H15F2N3 | 311.3 | 4.78 | 37.8 | 1 | 7.72 | tested | |
| AFN-000771 | A | R1 Me · R2 Me · Ar Thiophen-2-yl | C16H15N3S | 281.4 | 4.57 | 37.8 | 0 | — | designed | |
| AFN-000772 | A | R1 Me · R2 Me · Ar Thiophen-3-yl | C16H15N3S | 281.4 | 4.57 | 37.8 | 0 | — | designed | |
| AFN-000773 | A | R1 Me · R2 Me · Ar Furan-3-yl | C16H15N3O | 265.3 | 4.10 | 51.0 | 0 | — | designed | |
| AFN-000774 | A | R1 Me · R2 Me · Ar 1-Me-pyrazol-4-yl | C16H17N5 | 279.4 | 3.24 | 55.6 | 0 | — | designed | |
| AFN-000775 | A | R1 Me · R2 Me · Ar 1-Me-indol-3-yl | C21H20N4 | 328.4 | 5.00 | 42.7 | 0 | — | designed | |
| AFN-000776 | A | R1 Me · R2 Me · Ar Naphthalen-2-yl | C22H19N3 | 325.4 | 5.66 | 37.8 | 0 | — | designed | |
| AFN-000777 | A | R1 Me · R2 Me · Ar Pyrimidin-5-yl | C16H15N5 | 277.3 | 3.29 | 63.6 | 0 | — | designed | |
| AFN-000778 | A | R1 Me · R2 Me · Ar Quinolin-3-yl | C21H18N4 | 326.4 | 5.05 | 50.7 | 1 | 7.94 | tested | |
| AFN-000779 | A | R1 Me · R2 Me · Ar 6-MeO-pyridin-3-yl | C18H18N4O | 306.4 | 3.91 | 59.9 | 0 | — | designed | |
| AFN-000780 | A | R1 Me · R2 F · Ar Phenyl | C17H14FN3 | 279.3 | 4.33 | 37.8 | 0 | — | designed | |
| AFN-000781 | A | R1 Me · R2 F · Ar Pyridin-3-yl | C16H13FN4 | 280.3 | 3.73 | 50.7 | 1 | 7.68 | tested | |
| AFN-000782 | A | R1 Me · R2 F · Ar Pyridin-4-yl | C16H13FN4 | 280.3 | 3.73 | 50.7 | 1 | 7.30 | tested | |
| AFN-000783 | A | R1 Me · R2 F · Ar Pyridin-2-yl | C16H13FN4 | 280.3 | 3.73 | 50.7 | 0 | — | designed | |
| AFN-000784 | A | R1 Me · R2 F · Ar 3-F-phenyl | C17H13F2N3 | 297.3 | 4.47 | 37.8 | 0 | — | designed | |
| AFN-000785 | A | R1 Me · R2 F · Ar 4-F-phenyl | C17H13F2N3 | 297.3 | 4.47 | 37.8 | 0 | — | designed | |
| AFN-000786 | A | R1 Me · R2 F · Ar 3-Cl-phenyl | C17H13ClFN3 | 313.8 | 4.99 | 37.8 | 0 | — | designed | |
| AFN-000787 | A | R1 Me · R2 F · Ar 3-MeO-phenyl | C18H16FN3O | 309.3 | 4.34 | 47.0 | 0 | — | designed | |
| AFN-000788 | A | R1 Me · R2 F · Ar 2-MeO-phenyl | C18H16FN3O | 309.3 | 4.34 | 47.0 | 0 | — | designed | |
| AFN-000789 | A | R1 Me · R2 F · Ar 3-CN-phenyl | C18H13FN4 | 304.3 | 4.21 | 61.6 | 0 | — | designed | |
| AFN-000790 | A | R1 Me · R2 F · Ar 3,5-diF-phenyl | C17H12F3N3 | 315.3 | 4.61 | 37.8 | 0 | — | designed | |
| AFN-000791 | A | R1 Me · R2 F · Ar Thiophen-2-yl | C15H12FN3S | 285.4 | 4.40 | 37.8 | 0 | — | designed | |
| AFN-000792 | A | R1 Me · R2 F · Ar Thiophen-3-yl | C15H12FN3S | 285.4 | 4.40 | 37.8 | 0 | — | designed | |
| AFN-000793 | A | R1 Me · R2 F · Ar Furan-3-yl | C15H12FN3O | 269.3 | 3.93 | 51.0 | 0 | — | designed | |
| AFN-000794 | A | R1 Me · R2 F · Ar 1-Me-pyrazol-4-yl | C15H14FN5 | 283.3 | 3.07 | 55.6 | 0 | — | designed | |
| AFN-000795 | A | R1 Me · R2 F · Ar 1-Me-indol-3-yl | C20H17FN4 | 332.4 | 4.83 | 42.7 | 0 | — | designed | |
| AFN-000796 | A | R1 Me · R2 F · Ar Naphthalen-2-yl | C21H16FN3 | 329.4 | 5.49 | 37.8 | 0 | — | designed | |
| AFN-000797 | A | R1 Me · R2 F · Ar Pyrimidin-5-yl | C15H12FN5 | 281.3 | 3.12 | 63.6 | 0 | — | designed | |
| AFN-000798 | A | R1 Me · R2 F · Ar Quinolin-3-yl | C20H15FN4 | 330.4 | 4.88 | 50.7 | 1 | 7.73 | tested | |
| AFN-000799 | A | R1 Me · R2 F · Ar 6-MeO-pyridin-3-yl | C17H15FN4O | 310.3 | 3.74 | 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