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-001050 | A | R1 Et · R2 OMe · Ar 3,5-diF-phenyl | C19H17F2N3O | 341.4 | 4.74 | 47.0 | 0 | — | designed | |
| AFN-001051 | A | R1 Et · R2 OMe · Ar Thiophen-2-yl | C17H17N3OS | 311.4 | 4.52 | 47.0 | 0 | — | designed | |
| AFN-001052 | A | R1 Et · R2 OMe · Ar Thiophen-3-yl | C17H17N3OS | 311.4 | 4.52 | 47.0 | 1 | 6.99 | tested | |
| AFN-001053 | A | R1 Et · R2 OMe · Ar Furan-3-yl | C17H17N3O2 | 295.3 | 4.05 | 60.2 | 0 | — | designed | |
| AFN-001054 | A | R1 Et · R2 OMe · Ar 1-Me-pyrazol-4-yl | C17H19N5O | 309.4 | 3.19 | 64.9 | 0 | — | designed | |
| AFN-001055 | A | R1 Et · R2 OMe · Ar 1-Me-indol-3-yl | C22H22N4O | 358.4 | 4.95 | 52.0 | 0 | — | designed | |
| AFN-001056 | A | R1 Et · R2 OMe · Ar Naphthalen-2-yl | C23H21N3O | 355.4 | 5.61 | 47.0 | 0 | — | designed | |
| AFN-001057 | A | R1 Et · R2 OMe · Ar Pyrimidin-5-yl | C17H17N5O | 307.4 | 3.25 | 72.8 | 0 | — | designed | |
| AFN-001058 | A | R1 Et · R2 OMe · Ar Quinolin-3-yl | C22H20N4O | 356.4 | 5.01 | 59.9 | 0 | — | designed | |
| AFN-001059 | A | R1 Et · R2 OMe · Ar 6-MeO-pyridin-3-yl | C19H20N4O2 | 336.4 | 3.86 | 69.2 | 0 | — | designed | |
| AFN-001060 | A | R1 iPr · R2 H · Ar Phenyl | C19H19N3 | 289.4 | 5.01 | 37.8 | 0 | — | designed | |
| AFN-001061 | A | R1 iPr · R2 H · Ar Pyridin-3-yl | C18H18N4 | 290.4 | 4.41 | 50.7 | 0 | — | designed | |
| AFN-001062 | A | R1 iPr · R2 H · Ar Pyridin-4-yl | C18H18N4 | 290.4 | 4.41 | 50.7 | 0 | — | designed | |
| AFN-001063 | A | R1 iPr · R2 H · Ar Pyridin-2-yl | C18H18N4 | 290.4 | 4.41 | 50.7 | 0 | — | designed | |
| AFN-001064 | A | R1 iPr · R2 H · Ar 3-F-phenyl | C19H18FN3 | 307.4 | 5.15 | 37.8 | 0 | — | designed | |
| AFN-001065 | A | R1 iPr · R2 H · Ar 4-F-phenyl | C19H18FN3 | 307.4 | 5.15 | 37.8 | 0 | — | designed | |
| AFN-001066 | A | R1 iPr · R2 H · Ar 3-Cl-phenyl | C19H18ClN3 | 323.8 | 5.66 | 37.8 | 1 | 6.69 | tested | |
| AFN-001067 | A | R1 iPr · R2 H · Ar 3-MeO-phenyl | C20H21N3O | 319.4 | 5.02 | 47.0 | 0 | — | designed | |
| AFN-001068 | A | R1 iPr · R2 H · Ar 2-MeO-phenyl | C20H21N3O | 319.4 | 5.02 | 47.0 | 1 | 6.19 | tested | |
| AFN-001069 | A | R1 iPr · R2 H · Ar 3-CN-phenyl | C20H18N4 | 314.4 | 4.88 | 61.6 | 0 | — | designed | |
| AFN-001070 | A | R1 iPr · R2 H · Ar 3,5-diF-phenyl | C19H17F2N3 | 325.4 | 5.29 | 37.8 | 0 | — | designed | |
| AFN-001071 | A | R1 iPr · R2 H · Ar Thiophen-2-yl | C17H17N3S | 295.4 | 5.07 | 37.8 | 0 | — | designed | |
| AFN-001072 | A | R1 iPr · R2 H · Ar Thiophen-3-yl | C17H17N3S | 295.4 | 5.07 | 37.8 | 0 | — | designed | |
| AFN-001073 | A | R1 iPr · R2 H · Ar Furan-3-yl | C17H17N3O | 279.3 | 4.60 | 51.0 | 0 | — | designed | |
| AFN-001074 | A | R1 iPr · R2 H · Ar 1-Me-pyrazol-4-yl | C17H19N5 | 293.4 | 3.74 | 55.6 | 0 | — | designed | |
| AFN-001075 | A | R1 iPr · R2 H · Ar 1-Me-indol-3-yl | C22H22N4 | 342.4 | 5.50 | 42.7 | 0 | — | designed | |
| AFN-001076 | A | R1 iPr · R2 H · Ar Naphthalen-2-yl | C23H21N3 | 339.4 | 6.16 | 37.8 | 0 | — | designed | |
| AFN-001077 | A | R1 iPr · R2 H · Ar Pyrimidin-5-yl | C17H17N5 | 291.4 | 3.80 | 63.6 | 1 | 7.00 | tested | |
| AFN-001078 | A | R1 iPr · R2 H · Ar Quinolin-3-yl | C22H20N4 | 340.4 | 5.56 | 50.7 | 0 | — | designed | |
| AFN-001079 | A | R1 iPr · R2 H · Ar 6-MeO-pyridin-3-yl | C19H20N4O | 320.4 | 4.41 | 59.9 | 0 | — | designed | |
| AFN-001080 | A | R1 iPr · R2 Me · Ar Phenyl | C20H21N3 | 303.4 | 5.32 | 37.8 | 0 | — | designed | |
| AFN-001081 | A | R1 iPr · R2 Me · Ar Pyridin-3-yl | C19H20N4 | 304.4 | 4.71 | 50.7 | 0 | — | designed | |
| AFN-001082 | A | R1 iPr · R2 Me · Ar Pyridin-4-yl | C19H20N4 | 304.4 | 4.71 | 50.7 | 1 | 7.03 | tested | |
| AFN-001083 | A | R1 iPr · R2 Me · Ar Pyridin-2-yl | C19H20N4 | 304.4 | 4.71 | 50.7 | 0 | — | designed | |
| AFN-001084 | A | R1 iPr · R2 Me · Ar 3-F-phenyl | C20H20FN3 | 321.4 | 5.46 | 37.8 | 0 | — | designed | |
| AFN-001085 | A | R1 iPr · R2 Me · Ar 4-F-phenyl | C20H20FN3 | 321.4 | 5.46 | 37.8 | 0 | — | designed | |
| AFN-001086 | A | R1 iPr · R2 Me · Ar 3-Cl-phenyl | C20H20ClN3 | 337.9 | 5.97 | 37.8 | 0 | — | designed | |
| AFN-001087 | A | R1 iPr · R2 Me · Ar 3-MeO-phenyl | C21H23N3O | 333.4 | 5.33 | 47.0 | 0 | — | designed | |
| AFN-001088 | A | R1 iPr · R2 Me · Ar 2-MeO-phenyl | C21H23N3O | 333.4 | 5.33 | 47.0 | 0 | — | designed | |
| AFN-001089 | A | R1 iPr · R2 Me · Ar 3-CN-phenyl | C21H20N4 | 328.4 | 5.19 | 61.6 | 0 | — | designed | |
| AFN-001090 | A | R1 iPr · R2 Me · Ar 3,5-diF-phenyl | C20H19F2N3 | 339.4 | 5.60 | 37.8 | 0 | — | designed | |
| AFN-001091 | A | R1 iPr · R2 Me · Ar Thiophen-2-yl | C18H19N3S | 309.4 | 5.38 | 37.8 | 0 | — | designed | |
| AFN-001092 | A | R1 iPr · R2 Me · Ar Thiophen-3-yl | C18H19N3S | 309.4 | 5.38 | 37.8 | 0 | — | designed | |
| AFN-001093 | A | R1 iPr · R2 Me · Ar Furan-3-yl | C18H19N3O | 293.4 | 4.91 | 51.0 | 1 | 7.01 | tested | |
| AFN-001094 | A | R1 iPr · R2 Me · Ar 1-Me-pyrazol-4-yl | C18H21N5 | 307.4 | 4.05 | 55.6 | 1 | 7.23 | tested | |
| AFN-001095 | A | R1 iPr · R2 Me · Ar 1-Me-indol-3-yl | C23H24N4 | 356.5 | 5.81 | 42.7 | 1 | 7.27 | tested | |
| AFN-001096 | A | R1 iPr · R2 Me · Ar Naphthalen-2-yl | C24H23N3 | 353.5 | 6.47 | 37.8 | 0 | — | designed | |
| AFN-001097 | A | R1 iPr · R2 Me · Ar Pyrimidin-5-yl | C18H19N5 | 305.4 | 4.11 | 63.6 | 0 | — | designed | |
| AFN-001098 | A | R1 iPr · R2 Me · Ar Quinolin-3-yl | C23H22N4 | 354.5 | 5.87 | 50.7 | 0 | — | designed | |
| AFN-001099 | A | R1 iPr · R2 Me · Ar 6-MeO-pyridin-3-yl | C20H22N4O | 334.4 | 4.72 | 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