Compound registry

KIN-07 · EGFR mutant-selective — structures, computed properties and batches

Series

Status

Registered compounds, with their computed properties and mutant-EGFR potency
Compound	Series	R-groups	Formula	MW	cLogP	TPSA (Å²)	Batches	pIC50 mut	Status
AFN-002900	A	R1 ethynyl · R2 Br · Ar Phenyl	C18H12BrN3	350.2	4.63	37.8	0	—	designed
AFN-002901	A	R1 ethynyl · R2 Br · Ar Pyridin-3-yl	C17H11BrN4	351.2	4.03	50.7	0	—	designed
AFN-002902	A	R1 ethynyl · R2 Br · Ar Pyridin-4-yl	C17H11BrN4	351.2	4.03	50.7	0	—	designed
AFN-002903	A	R1 ethynyl · R2 Br · Ar Pyridin-2-yl	C17H11BrN4	351.2	4.03	50.7	0	—	designed
AFN-002904	A	R1 ethynyl · R2 Br · Ar 3-F-phenyl	C18H11BrFN3	368.2	4.77	37.8	0	—	designed
AFN-002905	A	R1 ethynyl · R2 Br · Ar 4-F-phenyl	C18H11BrFN3	368.2	4.77	37.8	0	—	designed
AFN-002906	A	R1 ethynyl · R2 Br · Ar 3-Cl-phenyl	C18H11BrClN3	384.7	5.28	37.8	0	—	designed
AFN-002907	A	R1 ethynyl · R2 Br · Ar 3-MeO-phenyl	C19H14BrN3O	380.3	4.64	47.0	0	—	designed
AFN-002908	A	R1 ethynyl · R2 Br · Ar 2-MeO-phenyl	C19H14BrN3O	380.3	4.64	47.0	1	7.09	tested
AFN-002909	A	R1 ethynyl · R2 Br · Ar 3-CN-phenyl	C19H11BrN4	375.2	4.50	61.6	0	—	designed
AFN-002910	A	R1 ethynyl · R2 Br · Ar 3,5-diF-phenyl	C18H10BrF2N3	386.2	4.91	37.8	0	—	designed
AFN-002911	A	R1 ethynyl · R2 Br · Ar Thiophen-2-yl	C16H10BrN3S	356.3	4.69	37.8	0	—	designed
AFN-002912	A	R1 ethynyl · R2 Br · Ar Thiophen-3-yl	C16H10BrN3S	356.3	4.69	37.8	1	7.67	tested
AFN-002913	A	R1 ethynyl · R2 Br · Ar Furan-3-yl	C16H10BrN3O	340.2	4.22	51.0	0	—	designed
AFN-002914	A	R1 ethynyl · R2 Br · Ar 1-Me-pyrazol-4-yl	C16H12BrN5	354.2	3.36	55.6	0	—	designed
AFN-002915	A	R1 ethynyl · R2 Br · Ar 1-Me-indol-3-yl	C21H15BrN4	403.3	5.12	42.7	0	—	designed
AFN-002916	A	R1 ethynyl · R2 Br · Ar Naphthalen-2-yl	C22H14BrN3	400.3	5.78	37.8	0	—	designed
AFN-002917	A	R1 ethynyl · R2 Br · Ar Pyrimidin-5-yl	C16H10BrN5	352.2	3.42	63.6	0	—	designed
AFN-002918	A	R1 ethynyl · R2 Br · Ar Quinolin-3-yl	C21H13BrN4	401.3	5.18	50.7	0	—	designed
AFN-002919	A	R1 ethynyl · R2 Br · Ar 6-MeO-pyridin-3-yl	C18H13BrN4O	381.2	4.03	59.9	1	7.84	tested
AFN-002920	A	R1 ethynyl · R2 CF3 · Ar Phenyl	C19H12F3N3	339.3	4.89	37.8	0	—	designed
AFN-002921	A	R1 ethynyl · R2 CF3 · Ar Pyridin-3-yl	C18H11F3N4	340.3	4.28	50.7	0	—	designed
AFN-002922	A	R1 ethynyl · R2 CF3 · Ar Pyridin-4-yl	C18H11F3N4	340.3	4.28	50.7	0	—	designed
AFN-002923	A	R1 ethynyl · R2 CF3 · Ar Pyridin-2-yl	C18H11F3N4	340.3	4.28	50.7	0	—	designed
AFN-002924	A	R1 ethynyl · R2 CF3 · Ar 3-F-phenyl	C19H11F4N3	357.3	5.03	37.8	0	—	designed
AFN-002925	A	R1 ethynyl · R2 CF3 · Ar 4-F-phenyl	C19H11F4N3	357.3	5.03	37.8	1	7.08	tested
AFN-002926	A	R1 ethynyl · R2 CF3 · Ar 3-Cl-phenyl	C19H11ClF3N3	373.8	5.54	37.8	0	—	designed
AFN-002927	A	R1 ethynyl · R2 CF3 · Ar 3-MeO-phenyl	C20H14F3N3O	369.4	4.90	47.0	0	—	designed
AFN-002928	A	R1 ethynyl · R2 CF3 · Ar 2-MeO-phenyl	C20H14F3N3O	369.4	4.90	47.0	0	—	designed
AFN-002929	A	R1 ethynyl · R2 CF3 · Ar 3-CN-phenyl	C20H11F3N4	364.3	4.76	61.6	0	—	designed
AFN-002930	A	R1 ethynyl · R2 CF3 · Ar 3,5-diF-phenyl	C19H10F5N3	375.3	5.17	37.8	1	7.37	tested
AFN-002931	A	R1 ethynyl · R2 CF3 · Ar Thiophen-2-yl	C17H10F3N3S	345.4	4.95	37.8	0	—	designed
AFN-002932	A	R1 ethynyl · R2 CF3 · Ar Thiophen-3-yl	C17H10F3N3S	345.4	4.95	37.8	0	—	designed
AFN-002933	A	R1 ethynyl · R2 CF3 · Ar Furan-3-yl	C17H10F3N3O	329.3	4.48	51.0	0	—	designed
AFN-002934	A	R1 ethynyl · R2 CF3 · Ar 1-Me-pyrazol-4-yl	C17H12F3N5	343.3	3.62	55.6	0	—	designed
AFN-002935	A	R1 ethynyl · R2 CF3 · Ar 1-Me-indol-3-yl	C22H15F3N4	392.4	5.38	42.7	0	—	designed
AFN-002936	A	R1 ethynyl · R2 CF3 · Ar Naphthalen-2-yl	C23H14F3N3	389.4	6.04	37.8	1	6.88	tested
AFN-002937	A	R1 ethynyl · R2 CF3 · Ar Pyrimidin-5-yl	C17H10F3N5	341.3	3.68	63.6	1	7.37	tested
AFN-002938	A	R1 ethynyl · R2 CF3 · Ar Quinolin-3-yl	C22H13F3N4	390.4	5.44	50.7	0	—	designed
AFN-002939	A	R1 ethynyl · R2 CF3 · Ar 6-MeO-pyridin-3-yl	C19H13F3N4O	370.3	4.29	59.9	0	—	designed
AFN-002940	A	R1 ethynyl · R2 CN · Ar Phenyl	C19H12N4	296.3	3.74	61.6	0	—	designed
AFN-002941	A	R1 ethynyl · R2 CN · Ar Pyridin-3-yl	C18H11N5	297.3	3.14	74.5	0	—	designed
AFN-002942	A	R1 ethynyl · R2 CN · Ar Pyridin-4-yl	C18H11N5	297.3	3.14	74.5	0	—	designed
AFN-002943	A	R1 ethynyl · R2 CN · Ar Pyridin-2-yl	C18H11N5	297.3	3.14	74.5	0	—	designed
AFN-002944	A	R1 ethynyl · R2 CN · Ar 3-F-phenyl	C19H11FN4	314.3	3.88	61.6	0	—	designed
AFN-002945	A	R1 ethynyl · R2 CN · Ar 4-F-phenyl	C19H11FN4	314.3	3.88	61.6	0	—	designed
AFN-002946	A	R1 ethynyl · R2 CN · Ar 3-Cl-phenyl	C19H11ClN4	330.8	4.39	61.6	0	—	designed
AFN-002947	A	R1 ethynyl · R2 CN · Ar 3-MeO-phenyl	C20H14N4O	326.4	3.75	70.8	0	—	designed
AFN-002948	A	R1 ethynyl · R2 CN · Ar 2-MeO-phenyl	C20H14N4O	326.4	3.75	70.8	0	—	designed
AFN-002949	A	R1 ethynyl · R2 CN · Ar 3-CN-phenyl	C20H11N5	321.3	3.61	85.4	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