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-003500 | B | R1 Me · R6 OMe · R7 H | C16H15N3O | 265.3 | 3.69 | 47.0 | 0 | — | designed | |
| AFN-003501 | B | R1 Me · R6 OMe · R7 OMe | C17H17N3O2 | 295.3 | 3.70 | 56.3 | 0 | — | designed | |
| AFN-003502 | B | R1 Me · R6 OMe · R7 OEt | C18H19N3O2 | 309.4 | 4.09 | 56.3 | 0 | — | designed | |
| AFN-003503 | B | R1 Me · R6 OMe · R7 OCH2CH2OMe | C19H21N3O3 | 339.4 | 3.72 | 65.5 | 1 | 6.67 | tested | |
| AFN-003504 | B | R1 Me · R6 OMe · R7 F | C16H14FN3O | 283.3 | 3.83 | 47.0 | 0 | — | designed | |
| AFN-003505 | B | R1 Me · R6 OMe · R7 O(CH2)2-morpholino | C22H26N4O3 | 394.5 | 3.40 | 68.7 | 0 | — | designed | |
| AFN-003506 | B | R1 Me · R6 OMe · R7 Cl | C16H14ClN3O | 299.8 | 4.34 | 47.0 | 0 | — | designed | |
| AFN-003507 | B | R1 Me · R6 OMe · R7 OH | C16H15N3O2 | 281.3 | 3.40 | 67.3 | 1 | 6.14 | tested | |
| AFN-003508 | B | R1 Me · R6 OEt · R7 H | C17H17N3O | 279.3 | 4.08 | 47.0 | 0 | — | designed | |
| AFN-003509 | B | R1 Me · R6 OEt · R7 OMe | C18H19N3O2 | 309.4 | 4.09 | 56.3 | 0 | — | designed | |
| AFN-003510 | B | R1 Me · R6 OEt · R7 OEt | C19H21N3O2 | 323.4 | 4.48 | 56.3 | 0 | — | designed | |
| AFN-003511 | B | R1 Me · R6 OEt · R7 OCH2CH2OMe | C20H23N3O3 | 353.4 | 4.11 | 65.5 | 1 | 6.54 | tested | |
| AFN-003512 | B | R1 Me · R6 OEt · R7 F | C17H16FN3O | 297.3 | 4.22 | 47.0 | 0 | — | designed | |
| AFN-003513 | B | R1 Me · R6 OEt · R7 O(CH2)2-morpholino | C23H28N4O3 | 408.5 | 3.79 | 68.7 | 0 | — | designed | |
| AFN-003514 | B | R1 Me · R6 OEt · R7 Cl | C17H16ClN3O | 313.8 | 4.73 | 47.0 | 1 | 6.68 | tested | |
| AFN-003515 | B | R1 Me · R6 OEt · R7 OH | C17H17N3O2 | 295.3 | 3.79 | 67.3 | 0 | — | designed | |
| AFN-003516 | B | R1 Me · R6 OCH2CH2OMe · R7 H | C18H19N3O2 | 309.4 | 3.71 | 56.3 | 0 | — | designed | |
| AFN-003517 | B | R1 Me · R6 OCH2CH2OMe · R7 OMe | C19H21N3O3 | 339.4 | 3.72 | 65.5 | 0 | — | designed | |
| AFN-003518 | B | R1 Me · R6 OCH2CH2OMe · R7 OEt | C20H23N3O3 | 353.4 | 4.11 | 65.5 | 1 | 6.48 | tested | |
| AFN-003519 | B | R1 Me · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C21H25N3O4 | 383.4 | 3.73 | 74.7 | 1 | 6.93 | tested | |
| AFN-003520 | B | R1 Me · R6 OCH2CH2OMe · R7 F | C18H18FN3O2 | 327.4 | 3.85 | 56.3 | 0 | — | designed | |
| AFN-003521 | B | R1 Me · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C24H30N4O4 | 438.5 | 3.42 | 78.0 | 0 | — | designed | |
| AFN-003522 | B | R1 Me · R6 OCH2CH2OMe · R7 Cl | C18H18ClN3O2 | 343.8 | 4.36 | 56.3 | 1 | 6.67 | tested | |
| AFN-003523 | B | R1 Me · R6 OCH2CH2OMe · R7 OH | C18H19N3O3 | 325.4 | 3.41 | 76.5 | 0 | — | designed | |
| AFN-003524 | B | R1 Me · R6 O(CH2)3-morpholino · R7 H | C22H26N4O2 | 378.5 | 3.78 | 59.5 | 0 | — | designed | |
| AFN-003525 | B | R1 Me · R6 O(CH2)3-morpholino · R7 OMe | C23H28N4O3 | 408.5 | 3.79 | 68.7 | 0 | — | designed | |
| AFN-003526 | B | R1 Me · R6 O(CH2)3-morpholino · R7 OEt | C24H30N4O3 | 422.5 | 4.18 | 68.7 | 1 | 6.79 | tested | |
| AFN-003527 | B | R1 Me · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C25H32N4O4 | 452.6 | 3.81 | 78.0 | 0 | — | designed | |
| AFN-003528 | B | R1 Me · R6 O(CH2)3-morpholino · R7 F | C22H25FN4O2 | 396.5 | 3.92 | 59.5 | 0 | — | designed | |
| AFN-003529 | B | R1 Me · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C28H37N5O4 | 507.6 | 3.49 | 81.2 | 0 | — | designed | |
| AFN-003530 | B | R1 Me · R6 O(CH2)3-morpholino · R7 Cl | C22H25ClN4O2 | 412.9 | 4.44 | 59.5 | 0 | — | designed | |
| AFN-003531 | B | R1 Me · R6 O(CH2)3-morpholino · R7 OH | C22H26N4O3 | 394.5 | 3.49 | 79.7 | 0 | — | designed | |
| AFN-003532 | B | R1 Me · R6 acrylamido · R7 H | C18H16N4O | 304.4 | 3.81 | 66.9 | 0 | — | designed | |
| AFN-003533 | B | R1 Me · R6 acrylamido · R7 OMe | C19H18N4O2 | 334.4 | 3.81 | 76.1 | 0 | — | designed | |
| AFN-003534 | B | R1 Me · R6 acrylamido · R7 OEt | C20H20N4O2 | 348.4 | 4.21 | 76.1 | 0 | — | designed | |
| AFN-003535 | B | R1 Me · R6 acrylamido · R7 OCH2CH2OMe | C21H22N4O3 | 378.4 | 3.83 | 85.4 | 1 | 7.54 | tested | |
| AFN-003536 | B | R1 Me · R6 acrylamido · R7 F | C18H15FN4O | 322.3 | 3.95 | 66.9 | 0 | — | designed | |
| AFN-003537 | B | R1 Me · R6 acrylamido · R7 O(CH2)2-morpholino | C24H27N5O3 | 433.5 | 3.52 | 88.6 | 0 | — | designed | |
| AFN-003538 | B | R1 Me · R6 acrylamido · R7 Cl | C18H15ClN4O | 338.8 | 4.46 | 66.9 | 0 | — | designed | |
| AFN-003539 | B | R1 Me · R6 acrylamido · R7 OH | C18H16N4O2 | 320.4 | 3.51 | 87.1 | 0 | — | designed | |
| AFN-003540 | B | R1 Et · R6 H · R7 H | C16H15N3 | 249.3 | 3.94 | 37.8 | 0 | — | designed | |
| AFN-003541 | B | R1 Et · R6 H · R7 OMe | C17H17N3O | 279.3 | 3.94 | 47.0 | 0 | — | designed | |
| AFN-003542 | B | R1 Et · R6 H · R7 OEt | C18H19N3O | 293.4 | 4.33 | 47.0 | 0 | — | designed | |
| AFN-003543 | B | R1 Et · R6 H · R7 OCH2CH2OMe | C19H21N3O2 | 323.4 | 3.96 | 56.3 | 0 | — | designed | |
| AFN-003544 | B | R1 Et · R6 H · R7 F | C16H14FN3 | 267.3 | 4.07 | 37.8 | 1 | 5.95 | tested | |
| AFN-003545 | B | R1 Et · R6 H · R7 O(CH2)2-morpholino | C22H26N4O2 | 378.5 | 3.65 | 59.5 | 1 | 6.19 | tested | |
| AFN-003546 | B | R1 Et · R6 H · R7 Cl | C16H14ClN3 | 283.8 | 4.59 | 37.8 | 0 | — | designed | |
| AFN-003547 | B | R1 Et · R6 H · R7 OH | C16H15N3O | 265.3 | 3.64 | 58.0 | 0 | — | designed | |
| AFN-003548 | B | R1 Et · R6 OMe · R7 H | C17H17N3O | 279.3 | 3.94 | 47.0 | 0 | — | designed | |
| AFN-003549 | B | R1 Et · R6 OMe · R7 OMe | C18H19N3O2 | 309.4 | 3.95 | 56.3 | 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