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-003550 | B | R1 Et · R6 OMe · R7 OEt | C19H21N3O2 | 323.4 | 4.34 | 56.3 | 0 | — | designed | |
| AFN-003551 | B | R1 Et · R6 OMe · R7 OCH2CH2OMe | C20H23N3O3 | 353.4 | 3.97 | 65.5 | 0 | — | designed | |
| AFN-003552 | B | R1 Et · R6 OMe · R7 F | C17H16FN3O | 297.3 | 4.08 | 47.0 | 0 | — | designed | |
| AFN-003553 | B | R1 Et · R6 OMe · R7 O(CH2)2-morpholino | C23H28N4O3 | 408.5 | 3.66 | 68.7 | 0 | — | designed | |
| AFN-003554 | B | R1 Et · R6 OMe · R7 Cl | C17H16ClN3O | 313.8 | 4.60 | 47.0 | 0 | — | designed | |
| AFN-003555 | B | R1 Et · R6 OMe · R7 OH | C17H17N3O2 | 295.3 | 3.65 | 67.3 | 1 | 6.21 | tested | |
| AFN-003556 | B | R1 Et · R6 OEt · R7 H | C18H19N3O | 293.4 | 4.33 | 47.0 | 0 | — | designed | |
| AFN-003557 | B | R1 Et · R6 OEt · R7 OMe | C19H21N3O2 | 323.4 | 4.34 | 56.3 | 0 | — | designed | |
| AFN-003558 | B | R1 Et · R6 OEt · R7 OEt | C20H23N3O2 | 337.4 | 4.73 | 56.3 | 1 | 6.50 | tested | |
| AFN-003559 | B | R1 Et · R6 OEt · R7 OCH2CH2OMe | C21H25N3O3 | 367.4 | 4.36 | 65.5 | 0 | — | designed | |
| AFN-003560 | B | R1 Et · R6 OEt · R7 F | C18H18FN3O | 311.4 | 4.47 | 47.0 | 0 | — | designed | |
| AFN-003561 | B | R1 Et · R6 OEt · R7 O(CH2)2-morpholino | C24H30N4O3 | 422.5 | 4.05 | 68.7 | 0 | — | designed | |
| AFN-003562 | B | R1 Et · R6 OEt · R7 Cl | C18H18ClN3O | 327.8 | 4.99 | 47.0 | 0 | — | designed | |
| AFN-003563 | B | R1 Et · R6 OEt · R7 OH | C18H19N3O2 | 309.4 | 4.04 | 67.3 | 0 | — | designed | |
| AFN-003564 | B | R1 Et · R6 OCH2CH2OMe · R7 H | C19H21N3O2 | 323.4 | 3.96 | 56.3 | 0 | — | designed | |
| AFN-003565 | B | R1 Et · R6 OCH2CH2OMe · R7 OMe | C20H23N3O3 | 353.4 | 3.97 | 65.5 | 0 | — | designed | |
| AFN-003566 | B | R1 Et · R6 OCH2CH2OMe · R7 OEt | C21H25N3O3 | 367.4 | 4.36 | 65.5 | 1 | 6.44 | tested | |
| AFN-003567 | B | R1 Et · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C22H27N3O4 | 397.5 | 3.99 | 74.7 | 0 | — | designed | |
| AFN-003568 | B | R1 Et · R6 OCH2CH2OMe · R7 F | C19H20FN3O2 | 341.4 | 4.10 | 56.3 | 0 | — | designed | |
| AFN-003569 | B | R1 Et · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C25H32N4O4 | 452.6 | 3.67 | 78.0 | 0 | — | designed | |
| AFN-003570 | B | R1 Et · R6 OCH2CH2OMe · R7 Cl | C19H20ClN3O2 | 357.8 | 4.61 | 56.3 | 0 | — | designed | |
| AFN-003571 | B | R1 Et · R6 OCH2CH2OMe · R7 OH | C19H21N3O3 | 339.4 | 3.67 | 76.5 | 0 | — | designed | |
| AFN-003572 | B | R1 Et · R6 O(CH2)3-morpholino · R7 H | C23H28N4O2 | 392.5 | 4.04 | 59.5 | 0 | — | designed | |
| AFN-003573 | B | R1 Et · R6 O(CH2)3-morpholino · R7 OMe | C24H30N4O3 | 422.5 | 4.05 | 68.7 | 0 | — | designed | |
| AFN-003574 | B | R1 Et · R6 O(CH2)3-morpholino · R7 OEt | C25H32N4O3 | 436.6 | 4.44 | 68.7 | 0 | — | designed | |
| AFN-003575 | B | R1 Et · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C26H34N4O4 | 466.6 | 4.06 | 78.0 | 0 | — | designed | |
| AFN-003576 | B | R1 Et · R6 O(CH2)3-morpholino · R7 F | C23H27FN4O2 | 410.5 | 4.18 | 59.5 | 0 | — | designed | |
| AFN-003577 | B | R1 Et · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C29H39N5O4 | 521.7 | 3.75 | 81.2 | 0 | — | designed | |
| AFN-003578 | B | R1 Et · R6 O(CH2)3-morpholino · R7 Cl | C23H27ClN4O2 | 426.9 | 4.69 | 59.5 | 0 | — | designed | |
| AFN-003579 | B | R1 Et · R6 O(CH2)3-morpholino · R7 OH | C23H28N4O3 | 408.5 | 3.74 | 79.7 | 0 | — | designed | |
| AFN-003580 | B | R1 Et · R6 acrylamido · R7 H | C19H18N4O | 318.4 | 4.06 | 66.9 | 0 | — | designed | |
| AFN-003581 | B | R1 Et · R6 acrylamido · R7 OMe | C20H20N4O2 | 348.4 | 4.07 | 76.1 | 0 | — | designed | |
| AFN-003582 | B | R1 Et · R6 acrylamido · R7 OEt | C21H22N4O2 | 362.4 | 4.46 | 76.1 | 0 | — | designed | |
| AFN-003583 | B | R1 Et · R6 acrylamido · R7 OCH2CH2OMe | C22H24N4O3 | 392.5 | 4.09 | 85.4 | 1 | 7.48 | tested | |
| AFN-003584 | B | R1 Et · R6 acrylamido · R7 F | C19H17FN4O | 336.4 | 4.20 | 66.9 | 0 | — | designed | |
| AFN-003585 | B | R1 Et · R6 acrylamido · R7 O(CH2)2-morpholino | C25H29N5O3 | 447.5 | 3.77 | 88.6 | 0 | — | designed | |
| AFN-003586 | B | R1 Et · R6 acrylamido · R7 Cl | C19H17ClN4O | 352.8 | 4.71 | 66.9 | 0 | — | designed | |
| AFN-003587 | B | R1 Et · R6 acrylamido · R7 OH | C19H18N4O2 | 334.4 | 3.77 | 87.1 | 0 | — | designed | |
| AFN-003588 | B | R1 iPr · R6 H · R7 H | C17H17N3 | 263.3 | 4.50 | 37.8 | 0 | — | designed | |
| AFN-003589 | B | R1 iPr · R6 H · R7 OMe | C18H19N3O | 293.4 | 4.51 | 47.0 | 0 | — | designed | |
| AFN-003590 | B | R1 iPr · R6 H · R7 OEt | C19H21N3O | 307.4 | 4.90 | 47.0 | 0 | — | designed | |
| AFN-003591 | B | R1 iPr · R6 H · R7 OCH2CH2OMe | C20H23N3O2 | 337.4 | 4.52 | 56.3 | 0 | — | designed | |
| AFN-003592 | B | R1 iPr · R6 H · R7 F | C17H16FN3 | 281.3 | 4.64 | 37.8 | 0 | — | designed | |
| AFN-003593 | B | R1 iPr · R6 H · R7 O(CH2)2-morpholino | C23H28N4O2 | 392.5 | 4.21 | 59.5 | 0 | — | designed | |
| AFN-003594 | B | R1 iPr · R6 H · R7 Cl | C17H16ClN3 | 297.8 | 5.15 | 37.8 | 0 | — | designed | |
| AFN-003595 | B | R1 iPr · R6 H · R7 OH | C17H17N3O | 279.3 | 4.20 | 58.0 | 0 | — | designed | |
| AFN-003596 | B | R1 iPr · R6 OMe · R7 H | C18H19N3O | 293.4 | 4.51 | 47.0 | 0 | — | designed | |
| AFN-003597 | B | R1 iPr · R6 OMe · R7 OMe | C19H21N3O2 | 323.4 | 4.51 | 56.3 | 1 | 6.50 | tested | |
| AFN-003598 | B | R1 iPr · R6 OMe · R7 OEt | C20H23N3O2 | 337.4 | 4.90 | 56.3 | 0 | — | designed | |
| AFN-003599 | B | R1 iPr · R6 OMe · R7 OCH2CH2OMe | C21H25N3O3 | 367.4 | 4.53 | 65.5 | 1 | 6.47 | tested |
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