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-002950 | A | R1 ethynyl · R2 CN · Ar 3,5-diF-phenyl | C19H10F2N4 | 332.3 | 4.02 | 61.6 | 0 | — | designed | |
| AFN-002951 | A | R1 ethynyl · R2 CN · Ar Thiophen-2-yl | C17H10N4S | 302.4 | 3.80 | 61.6 | 0 | — | designed | |
| AFN-002952 | A | R1 ethynyl · R2 CN · Ar Thiophen-3-yl | C17H10N4S | 302.4 | 3.80 | 61.6 | 0 | — | designed | |
| AFN-002953 | A | R1 ethynyl · R2 CN · Ar Furan-3-yl | C17H10N4O | 286.3 | 3.33 | 74.7 | 0 | — | designed | |
| AFN-002954 | A | R1 ethynyl · R2 CN · Ar 1-Me-pyrazol-4-yl | C17H12N6 | 300.3 | 2.47 | 79.4 | 0 | — | designed | |
| AFN-002955 | A | R1 ethynyl · R2 CN · Ar 1-Me-indol-3-yl | C22H15N5 | 349.4 | 4.23 | 66.5 | 1 | 7.79 | tested | |
| AFN-002956 | A | R1 ethynyl · R2 CN · Ar Naphthalen-2-yl | C23H14N4 | 346.4 | 4.89 | 61.6 | 0 | — | designed | |
| AFN-002957 | A | R1 ethynyl · R2 CN · Ar Pyrimidin-5-yl | C17H10N6 | 298.3 | 2.53 | 87.4 | 0 | — | designed | |
| AFN-002958 | A | R1 ethynyl · R2 CN · Ar Quinolin-3-yl | C22H13N5 | 347.4 | 4.29 | 74.5 | 0 | — | designed | |
| AFN-002959 | A | R1 ethynyl · R2 CN · Ar 6-MeO-pyridin-3-yl | C19H13N5O | 327.4 | 3.14 | 83.7 | 0 | — | designed | |
| AFN-002960 | A | R1 ethynyl · R2 OMe · Ar Phenyl | C19H15N3O | 301.4 | 3.88 | 47.0 | 0 | — | designed | |
| AFN-002961 | A | R1 ethynyl · R2 OMe · Ar Pyridin-3-yl | C18H14N4O | 302.3 | 3.27 | 59.9 | 0 | — | designed | |
| AFN-002962 | A | R1 ethynyl · R2 OMe · Ar Pyridin-4-yl | C18H14N4O | 302.3 | 3.27 | 59.9 | 0 | — | designed | |
| AFN-002963 | A | R1 ethynyl · R2 OMe · Ar Pyridin-2-yl | C18H14N4O | 302.3 | 3.27 | 59.9 | 0 | — | designed | |
| AFN-002964 | A | R1 ethynyl · R2 OMe · Ar 3-F-phenyl | C19H14FN3O | 319.3 | 4.02 | 47.0 | 0 | — | designed | |
| AFN-002965 | A | R1 ethynyl · R2 OMe · Ar 4-F-phenyl | C19H14FN3O | 319.3 | 4.02 | 47.0 | 0 | — | designed | |
| AFN-002966 | A | R1 ethynyl · R2 OMe · Ar 3-Cl-phenyl | C19H14ClN3O | 335.8 | 4.53 | 47.0 | 0 | — | designed | |
| AFN-002967 | A | R1 ethynyl · R2 OMe · Ar 3-MeO-phenyl | C20H17N3O2 | 331.4 | 3.89 | 56.3 | 0 | — | designed | |
| AFN-002968 | A | R1 ethynyl · R2 OMe · Ar 2-MeO-phenyl | C20H17N3O2 | 331.4 | 3.89 | 56.3 | 1 | 6.78 | tested | |
| AFN-002969 | A | R1 ethynyl · R2 OMe · Ar 3-CN-phenyl | C20H14N4O | 326.4 | 3.75 | 70.8 | 0 | — | designed | |
| AFN-002970 | A | R1 ethynyl · R2 OMe · Ar 3,5-diF-phenyl | C19H13F2N3O | 337.3 | 4.16 | 47.0 | 0 | — | designed | |
| AFN-002971 | A | R1 ethynyl · R2 OMe · Ar Thiophen-2-yl | C17H13N3OS | 307.4 | 3.94 | 47.0 | 0 | — | designed | |
| AFN-002972 | A | R1 ethynyl · R2 OMe · Ar Thiophen-3-yl | C17H13N3OS | 307.4 | 3.94 | 47.0 | 0 | — | designed | |
| AFN-002973 | A | R1 ethynyl · R2 OMe · Ar Furan-3-yl | C17H13N3O2 | 291.3 | 3.47 | 60.2 | 1 | 7.34 | tested | |
| AFN-002974 | A | R1 ethynyl · R2 OMe · Ar 1-Me-pyrazol-4-yl | C17H15N5O | 305.3 | 2.61 | 64.9 | 1 | 7.60 | tested | |
| AFN-002975 | A | R1 ethynyl · R2 OMe · Ar 1-Me-indol-3-yl | C22H18N4O | 354.4 | 4.37 | 52.0 | 0 | — | designed | |
| AFN-002976 | A | R1 ethynyl · R2 OMe · Ar Naphthalen-2-yl | C23H17N3O | 351.4 | 5.03 | 47.0 | 0 | — | designed | |
| AFN-002977 | A | R1 ethynyl · R2 OMe · Ar Pyrimidin-5-yl | C17H13N5O | 303.3 | 2.67 | 72.8 | 0 | — | designed | |
| AFN-002978 | A | R1 ethynyl · R2 OMe · Ar Quinolin-3-yl | C22H16N4O | 352.4 | 4.43 | 59.9 | 0 | — | designed | |
| AFN-002979 | A | R1 ethynyl · R2 OMe · Ar 6-MeO-pyridin-3-yl | C19H16N4O2 | 332.4 | 3.28 | 69.2 | 0 | — | designed | |
| AFN-002980 | A | R1 cyclopropyl · R2 H · Ar Phenyl | C19H17N3 | 287.4 | 4.76 | 37.8 | 0 | — | designed | |
| AFN-002981 | A | R1 cyclopropyl · R2 H · Ar Pyridin-3-yl | C18H16N4 | 288.4 | 4.16 | 50.7 | 0 | — | designed | |
| AFN-002982 | A | R1 cyclopropyl · R2 H · Ar Pyridin-4-yl | C18H16N4 | 288.4 | 4.16 | 50.7 | 0 | — | designed | |
| AFN-002983 | A | R1 cyclopropyl · R2 H · Ar Pyridin-2-yl | C18H16N4 | 288.4 | 4.16 | 50.7 | 0 | — | designed | |
| AFN-002984 | A | R1 cyclopropyl · R2 H · Ar 3-F-phenyl | C19H16FN3 | 305.4 | 4.90 | 37.8 | 0 | — | designed | |
| AFN-002985 | A | R1 cyclopropyl · R2 H · Ar 4-F-phenyl | C19H16FN3 | 305.4 | 4.90 | 37.8 | 0 | — | designed | |
| AFN-002986 | A | R1 cyclopropyl · R2 H · Ar 3-Cl-phenyl | C19H16ClN3 | 321.8 | 5.42 | 37.8 | 0 | — | designed | |
| AFN-002987 | A | R1 cyclopropyl · R2 H · Ar 3-MeO-phenyl | C20H19N3O | 317.4 | 4.77 | 47.0 | 0 | — | designed | |
| AFN-002988 | A | R1 cyclopropyl · R2 H · Ar 2-MeO-phenyl | C20H19N3O | 317.4 | 4.77 | 47.0 | 0 | — | designed | |
| AFN-002989 | A | R1 cyclopropyl · R2 H · Ar 3-CN-phenyl | C20H16N4 | 312.4 | 4.64 | 61.6 | 0 | — | designed | |
| AFN-002990 | A | R1 cyclopropyl · R2 H · Ar 3,5-diF-phenyl | C19H15F2N3 | 323.4 | 5.04 | 37.8 | 0 | — | designed | |
| AFN-002991 | A | R1 cyclopropyl · R2 H · Ar Thiophen-2-yl | C17H15N3S | 293.4 | 4.83 | 37.8 | 0 | — | designed | |
| AFN-002992 | A | R1 cyclopropyl · R2 H · Ar Thiophen-3-yl | C17H15N3S | 293.4 | 4.83 | 37.8 | 1 | 7.18 | tested | |
| AFN-002993 | A | R1 cyclopropyl · R2 H · Ar Furan-3-yl | C17H15N3O | 277.3 | 4.36 | 51.0 | 0 | — | designed | |
| AFN-002994 | A | R1 cyclopropyl · R2 H · Ar 1-Me-pyrazol-4-yl | C17H17N5 | 291.4 | 3.50 | 55.6 | 0 | — | designed | |
| AFN-002995 | A | R1 cyclopropyl · R2 H · Ar 1-Me-indol-3-yl | C22H20N4 | 340.4 | 5.26 | 42.7 | 0 | — | designed | |
| AFN-002996 | A | R1 cyclopropyl · R2 H · Ar Naphthalen-2-yl | C23H19N3 | 337.4 | 5.92 | 37.8 | 0 | — | designed | |
| AFN-002997 | A | R1 cyclopropyl · R2 H · Ar Pyrimidin-5-yl | C17H15N5 | 289.3 | 3.55 | 63.6 | 0 | — | designed | |
| AFN-002998 | A | R1 cyclopropyl · R2 H · Ar Quinolin-3-yl | C22H18N4 | 338.4 | 5.31 | 50.7 | 0 | — | designed | |
| AFN-002999 | A | R1 cyclopropyl · R2 H · Ar 6-MeO-pyridin-3-yl | C19H18N4O | 318.4 | 4.17 | 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