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-003600 | B | R1 iPr · R6 OMe · R7 F | C18H18FN3O | 311.4 | 4.64 | 47.0 | 0 | — | designed | |
| AFN-003601 | B | R1 iPr · R6 OMe · R7 O(CH2)2-morpholino | C24H30N4O3 | 422.5 | 4.22 | 68.7 | 0 | — | designed | |
| AFN-003602 | B | R1 iPr · R6 OMe · R7 Cl | C18H18ClN3O | 327.8 | 5.16 | 47.0 | 0 | — | designed | |
| AFN-003603 | B | R1 iPr · R6 OMe · R7 OH | C18H19N3O2 | 309.4 | 4.21 | 67.3 | 0 | — | designed | |
| AFN-003604 | B | R1 iPr · R6 OEt · R7 H | C19H21N3O | 307.4 | 4.90 | 47.0 | 0 | — | designed | |
| AFN-003605 | B | R1 iPr · R6 OEt · R7 OMe | C20H23N3O2 | 337.4 | 4.90 | 56.3 | 0 | — | designed | |
| AFN-003606 | B | R1 iPr · R6 OEt · R7 OEt | C21H25N3O2 | 351.4 | 5.29 | 56.3 | 0 | — | designed | |
| AFN-003607 | B | R1 iPr · R6 OEt · R7 OCH2CH2OMe | C22H27N3O3 | 381.5 | 4.92 | 65.5 | 0 | — | designed | |
| AFN-003608 | B | R1 iPr · R6 OEt · R7 F | C19H20FN3O | 325.4 | 5.03 | 47.0 | 1 | 6.02 | tested | |
| AFN-003609 | B | R1 iPr · R6 OEt · R7 O(CH2)2-morpholino | C25H32N4O3 | 436.6 | 4.61 | 68.7 | 0 | — | designed | |
| AFN-003610 | B | R1 iPr · R6 OEt · R7 Cl | C19H20ClN3O | 341.8 | 5.55 | 47.0 | 0 | — | designed | |
| AFN-003611 | B | R1 iPr · R6 OEt · R7 OH | C19H21N3O2 | 323.4 | 4.60 | 67.3 | 1 | 5.99 | tested | |
| AFN-003612 | B | R1 iPr · R6 OCH2CH2OMe · R7 H | C20H23N3O2 | 337.4 | 4.52 | 56.3 | 0 | — | designed | |
| AFN-003613 | B | R1 iPr · R6 OCH2CH2OMe · R7 OMe | C21H25N3O3 | 367.4 | 4.53 | 65.5 | 0 | — | designed | |
| AFN-003614 | B | R1 iPr · R6 OCH2CH2OMe · R7 OEt | C22H27N3O3 | 381.5 | 4.92 | 65.5 | 0 | — | designed | |
| AFN-003615 | B | R1 iPr · R6 OCH2CH2OMe · R7 OCH2CH2OMe | C23H29N3O4 | 411.5 | 4.55 | 74.7 | 1 | 6.20 | tested | |
| AFN-003616 | B | R1 iPr · R6 OCH2CH2OMe · R7 F | C20H22FN3O2 | 355.4 | 4.66 | 56.3 | 0 | — | designed | |
| AFN-003617 | B | R1 iPr · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino | C26H34N4O4 | 466.6 | 4.23 | 78.0 | 0 | — | designed | |
| AFN-003618 | B | R1 iPr · R6 OCH2CH2OMe · R7 Cl | C20H22ClN3O2 | 371.9 | 5.18 | 56.3 | 0 | — | designed | |
| AFN-003619 | B | R1 iPr · R6 OCH2CH2OMe · R7 OH | C20H23N3O3 | 353.4 | 4.23 | 76.5 | 1 | 5.83 | tested | |
| AFN-003620 | B | R1 iPr · R6 O(CH2)3-morpholino · R7 H | C24H30N4O2 | 406.5 | 4.60 | 59.5 | 0 | — | designed | |
| AFN-003621 | B | R1 iPr · R6 O(CH2)3-morpholino · R7 OMe | C25H32N4O3 | 436.6 | 4.61 | 68.7 | 0 | — | designed | |
| AFN-003622 | B | R1 iPr · R6 O(CH2)3-morpholino · R7 OEt | C26H34N4O3 | 450.6 | 5.00 | 68.7 | 0 | — | designed | |
| AFN-003623 | B | R1 iPr · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe | C27H36N4O4 | 480.6 | 4.62 | 78.0 | 0 | — | designed | |
| AFN-003624 | B | R1 iPr · R6 O(CH2)3-morpholino · R7 F | C24H29FN4O2 | 424.5 | 4.74 | 59.5 | 0 | — | designed | |
| AFN-003625 | B | R1 iPr · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino | C30H41N5O4 | 535.7 | 4.31 | 81.2 | 0 | — | designed | |
| AFN-003626 | B | R1 iPr · R6 O(CH2)3-morpholino · R7 Cl | C24H29ClN4O2 | 441.0 | 5.25 | 59.5 | 0 | — | designed | |
| AFN-003627 | B | R1 iPr · R6 O(CH2)3-morpholino · R7 OH | C24H30N4O3 | 422.5 | 4.30 | 79.7 | 0 | — | designed | |
| AFN-003628 | B | R1 iPr · R6 acrylamido · R7 H | C20H20N4O | 332.4 | 4.62 | 66.9 | 0 | — | designed | |
| AFN-003629 | B | R1 iPr · R6 acrylamido · R7 OMe | C21H22N4O2 | 362.4 | 4.63 | 76.1 | 0 | — | designed | |
| AFN-003630 | B | R1 iPr · R6 acrylamido · R7 OEt | C22H24N4O2 | 376.5 | 5.02 | 76.1 | 0 | — | designed | |
| AFN-003631 | B | R1 iPr · R6 acrylamido · R7 OCH2CH2OMe | C23H26N4O3 | 406.5 | 4.65 | 85.4 | 0 | — | designed | |
| AFN-003632 | B | R1 iPr · R6 acrylamido · R7 F | C20H19FN4O | 350.4 | 4.76 | 66.9 | 0 | — | designed | |
| AFN-003633 | B | R1 iPr · R6 acrylamido · R7 O(CH2)2-morpholino | C26H31N5O3 | 461.6 | 4.33 | 88.6 | 0 | — | designed | |
| AFN-003634 | B | R1 iPr · R6 acrylamido · R7 Cl | C20H19ClN4O | 366.9 | 5.27 | 66.9 | 0 | — | designed | |
| AFN-003635 | B | R1 iPr · R6 acrylamido · R7 OH | C20H20N4O2 | 348.4 | 4.33 | 87.1 | 0 | — | designed | |
| AFN-003636 | B | R1 CF3 · R6 H · R7 H | C15H10F3N3 | 289.3 | 4.39 | 37.8 | 0 | — | designed | |
| AFN-003637 | B | R1 CF3 · R6 H · R7 OMe | C16H12F3N3O | 319.3 | 4.40 | 47.0 | 0 | — | designed | |
| AFN-003638 | B | R1 CF3 · R6 H · R7 OEt | C17H14F3N3O | 333.3 | 4.79 | 47.0 | 0 | — | designed | |
| AFN-003639 | B | R1 CF3 · R6 H · R7 OCH2CH2OMe | C18H16F3N3O2 | 363.3 | 4.42 | 56.3 | 1 | 6.64 | tested | |
| AFN-003640 | B | R1 CF3 · R6 H · R7 F | C15H9F4N3 | 307.3 | 4.53 | 37.8 | 0 | — | designed | |
| AFN-003641 | B | R1 CF3 · R6 H · R7 O(CH2)2-morpholino | C21H21F3N4O2 | 418.4 | 4.10 | 59.5 | 0 | — | designed | |
| AFN-003642 | B | R1 CF3 · R6 H · R7 Cl | C15H9ClF3N3 | 323.7 | 5.05 | 37.8 | 0 | — | designed | |
| AFN-003643 | B | R1 CF3 · R6 H · R7 OH | C15H10F3N3O | 305.3 | 4.10 | 58.0 | 0 | — | designed | |
| AFN-003644 | B | R1 CF3 · R6 OMe · R7 H | C16H12F3N3O | 319.3 | 4.40 | 47.0 | 0 | — | designed | |
| AFN-003645 | B | R1 CF3 · R6 OMe · R7 OMe | C17H14F3N3O2 | 349.3 | 4.41 | 56.3 | 0 | — | designed | |
| AFN-003646 | B | R1 CF3 · R6 OMe · R7 OEt | C18H16F3N3O2 | 363.3 | 4.80 | 56.3 | 0 | — | designed | |
| AFN-003647 | B | R1 CF3 · R6 OMe · R7 OCH2CH2OMe | C19H18F3N3O3 | 393.4 | 4.43 | 65.5 | 0 | — | designed | |
| AFN-003648 | B | R1 CF3 · R6 OMe · R7 F | C16H11F4N3O | 337.3 | 4.54 | 47.0 | 0 | — | designed | |
| AFN-003649 | B | R1 CF3 · R6 OMe · R7 O(CH2)2-morpholino | C22H23F3N4O3 | 448.4 | 4.11 | 68.7 | 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