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-002050 | A | R1 NMe2 · R2 Me · Ar 3,5-diF-phenyl | C19H18F2N4 | 340.4 | 4.54 | 41.1 | 0 | — | designed | |
| AFN-002051 | A | R1 NMe2 · R2 Me · Ar Thiophen-2-yl | C17H18N4S | 310.4 | 4.32 | 41.1 | 0 | — | designed | |
| AFN-002052 | A | R1 NMe2 · R2 Me · Ar Thiophen-3-yl | C17H18N4S | 310.4 | 4.32 | 41.1 | 0 | — | designed | |
| AFN-002053 | A | R1 NMe2 · R2 Me · Ar Furan-3-yl | C17H18N4O | 294.4 | 3.85 | 54.2 | 0 | — | designed | |
| AFN-002054 | A | R1 NMe2 · R2 Me · Ar 1-Me-pyrazol-4-yl | C17H20N6 | 308.4 | 3.00 | 58.9 | 0 | — | designed | |
| AFN-002055 | A | R1 NMe2 · R2 Me · Ar 1-Me-indol-3-yl | C22H23N5 | 357.5 | 4.75 | 46.0 | 0 | — | designed | |
| AFN-002056 | A | R1 NMe2 · R2 Me · Ar Naphthalen-2-yl | C23H22N4 | 354.5 | 5.41 | 41.1 | 0 | — | designed | |
| AFN-002057 | A | R1 NMe2 · R2 Me · Ar Pyrimidin-5-yl | C17H18N6 | 306.4 | 3.05 | 66.8 | 0 | — | designed | |
| AFN-002058 | A | R1 NMe2 · R2 Me · Ar Quinolin-3-yl | C22H21N5 | 355.4 | 4.81 | 53.9 | 0 | — | designed | |
| AFN-002059 | A | R1 NMe2 · R2 Me · Ar 6-MeO-pyridin-3-yl | C19H21N5O | 335.4 | 3.67 | 63.2 | 0 | — | designed | |
| AFN-002060 | A | R1 NMe2 · R2 F · Ar Phenyl | C18H17FN4 | 308.4 | 4.09 | 41.1 | 1 | 6.98 | tested | |
| AFN-002061 | A | R1 NMe2 · R2 F · Ar Pyridin-3-yl | C17H16FN5 | 309.4 | 3.49 | 53.9 | 1 | 8.00 | tested | |
| AFN-002062 | A | R1 NMe2 · R2 F · Ar Pyridin-4-yl | C17H16FN5 | 309.4 | 3.49 | 53.9 | 0 | — | designed | |
| AFN-002063 | A | R1 NMe2 · R2 F · Ar Pyridin-2-yl | C17H16FN5 | 309.4 | 3.49 | 53.9 | 0 | — | designed | |
| AFN-002064 | A | R1 NMe2 · R2 F · Ar 3-F-phenyl | C18H16F2N4 | 326.4 | 4.23 | 41.1 | 0 | — | designed | |
| AFN-002065 | A | R1 NMe2 · R2 F · Ar 4-F-phenyl | C18H16F2N4 | 326.4 | 4.23 | 41.1 | 0 | — | designed | |
| AFN-002066 | A | R1 NMe2 · R2 F · Ar 3-Cl-phenyl | C18H16ClFN4 | 342.8 | 4.75 | 41.1 | 0 | — | designed | |
| AFN-002067 | A | R1 NMe2 · R2 F · Ar 3-MeO-phenyl | C19H19FN4O | 338.4 | 4.10 | 50.3 | 0 | — | designed | |
| AFN-002068 | A | R1 NMe2 · R2 F · Ar 2-MeO-phenyl | C19H19FN4O | 338.4 | 4.10 | 50.3 | 0 | — | designed | |
| AFN-002069 | A | R1 NMe2 · R2 F · Ar 3-CN-phenyl | C19H16FN5 | 333.4 | 3.96 | 64.8 | 0 | — | designed | |
| AFN-002070 | A | R1 NMe2 · R2 F · Ar 3,5-diF-phenyl | C18H15F3N4 | 344.3 | 4.37 | 41.1 | 1 | 7.28 | tested | |
| AFN-002071 | A | R1 NMe2 · R2 F · Ar Thiophen-2-yl | C16H15FN4S | 314.4 | 4.15 | 41.1 | 0 | — | designed | |
| AFN-002072 | A | R1 NMe2 · R2 F · Ar Thiophen-3-yl | C16H15FN4S | 314.4 | 4.15 | 41.1 | 0 | — | designed | |
| AFN-002073 | A | R1 NMe2 · R2 F · Ar Furan-3-yl | C16H15FN4O | 298.3 | 3.69 | 54.2 | 0 | — | designed | |
| AFN-002074 | A | R1 NMe2 · R2 F · Ar 1-Me-pyrazol-4-yl | C16H17FN6 | 312.4 | 2.83 | 58.9 | 0 | — | designed | |
| AFN-002075 | A | R1 NMe2 · R2 F · Ar 1-Me-indol-3-yl | C21H20FN5 | 361.4 | 4.58 | 46.0 | 0 | — | designed | |
| AFN-002076 | A | R1 NMe2 · R2 F · Ar Naphthalen-2-yl | C22H19FN4 | 358.4 | 5.25 | 41.1 | 0 | — | designed | |
| AFN-002077 | A | R1 NMe2 · R2 F · Ar Pyrimidin-5-yl | C16H15FN6 | 310.3 | 2.88 | 66.8 | 0 | — | designed | |
| AFN-002078 | A | R1 NMe2 · R2 F · Ar Quinolin-3-yl | C21H18FN5 | 359.4 | 4.64 | 53.9 | 0 | — | designed | |
| AFN-002079 | A | R1 NMe2 · R2 F · Ar 6-MeO-pyridin-3-yl | C18H18FN5O | 339.4 | 3.50 | 63.2 | 0 | — | designed | |
| AFN-002080 | A | R1 NMe2 · R2 Cl · Ar Phenyl | C18H17ClN4 | 324.8 | 4.61 | 41.1 | 0 | — | designed | |
| AFN-002081 | A | R1 NMe2 · R2 Cl · Ar Pyridin-3-yl | C17H16ClN5 | 325.8 | 4.00 | 53.9 | 0 | — | designed | |
| AFN-002082 | A | R1 NMe2 · R2 Cl · Ar Pyridin-4-yl | C17H16ClN5 | 325.8 | 4.00 | 53.9 | 0 | — | designed | |
| AFN-002083 | A | R1 NMe2 · R2 Cl · Ar Pyridin-2-yl | C17H16ClN5 | 325.8 | 4.00 | 53.9 | 0 | — | designed | |
| AFN-002084 | A | R1 NMe2 · R2 Cl · Ar 3-F-phenyl | C18H16ClFN4 | 342.8 | 4.75 | 41.1 | 1 | 7.38 | tested | |
| AFN-002085 | A | R1 NMe2 · R2 Cl · Ar 4-F-phenyl | C18H16ClFN4 | 342.8 | 4.75 | 41.1 | 0 | — | designed | |
| AFN-002086 | A | R1 NMe2 · R2 Cl · Ar 3-Cl-phenyl | C18H16Cl2N4 | 359.3 | 5.26 | 41.1 | 0 | — | designed | |
| AFN-002087 | A | R1 NMe2 · R2 Cl · Ar 3-MeO-phenyl | C19H19ClN4O | 354.8 | 4.62 | 50.3 | 0 | — | designed | |
| AFN-002088 | A | R1 NMe2 · R2 Cl · Ar 2-MeO-phenyl | C19H19ClN4O | 354.8 | 4.62 | 50.3 | 0 | — | designed | |
| AFN-002089 | A | R1 NMe2 · R2 Cl · Ar 3-CN-phenyl | C19H16ClN5 | 349.8 | 4.48 | 64.8 | 0 | — | designed | |
| AFN-002090 | A | R1 NMe2 · R2 Cl · Ar 3,5-diF-phenyl | C18H15ClF2N4 | 360.8 | 4.88 | 41.1 | 0 | — | designed | |
| AFN-002091 | A | R1 NMe2 · R2 Cl · Ar Thiophen-2-yl | C16H15ClN4S | 330.8 | 4.67 | 41.1 | 0 | — | designed | |
| AFN-002092 | A | R1 NMe2 · R2 Cl · Ar Thiophen-3-yl | C16H15ClN4S | 330.8 | 4.67 | 41.1 | 0 | — | designed | |
| AFN-002093 | A | R1 NMe2 · R2 Cl · Ar Furan-3-yl | C16H15ClN4O | 314.8 | 4.20 | 54.2 | 0 | — | designed | |
| AFN-002094 | A | R1 NMe2 · R2 Cl · Ar 1-Me-pyrazol-4-yl | C16H17ClN6 | 328.8 | 3.34 | 58.9 | 0 | — | designed | |
| AFN-002095 | A | R1 NMe2 · R2 Cl · Ar 1-Me-indol-3-yl | C21H20ClN5 | 377.9 | 5.10 | 46.0 | 1 | 7.60 | tested | |
| AFN-002096 | A | R1 NMe2 · R2 Cl · Ar Naphthalen-2-yl | C22H19ClN4 | 374.9 | 5.76 | 41.1 | 0 | — | designed | |
| AFN-002097 | A | R1 NMe2 · R2 Cl · Ar Pyrimidin-5-yl | C16H15ClN6 | 326.8 | 3.40 | 66.8 | 0 | — | designed | |
| AFN-002098 | A | R1 NMe2 · R2 Cl · Ar Quinolin-3-yl | C21H18ClN5 | 375.9 | 5.15 | 53.9 | 0 | — | designed | |
| AFN-002099 | A | R1 NMe2 · R2 Cl · Ar 6-MeO-pyridin-3-yl | C18H18ClN5O | 355.8 | 4.01 | 63.2 | 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