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-003950	B	R1 morpholin-4-yl · R6 OCH2CH2OMe · R7 OEt	C23H28N4O4	424.5	3.63	78.0	0	—	designed
AFN-003951	B	R1 morpholin-4-yl · R6 OCH2CH2OMe · R7 OCH2CH2OMe	C24H30N4O5	454.5	3.26	87.2	1	6.80	tested
AFN-003952	B	R1 morpholin-4-yl · R6 OCH2CH2OMe · R7 F	C21H23FN4O3	398.4	3.37	68.7	0	—	designed
AFN-003953	B	R1 morpholin-4-yl · R6 OCH2CH2OMe · R7 O(CH2)2-morpholino	C27H35N5O5	509.6	2.95	90.4	0	—	designed
AFN-003954	B	R1 morpholin-4-yl · R6 OCH2CH2OMe · R7 Cl	C21H23ClN4O3	414.9	3.89	68.7	0	—	designed
AFN-003955	B	R1 morpholin-4-yl · R6 OCH2CH2OMe · R7 OH	C21H24N4O4	396.4	2.94	89.0	0	—	designed
AFN-003956	B	R1 morpholin-4-yl · R6 O(CH2)3-morpholino · R7 H	C25H31N5O3	449.6	3.31	72.0	1	6.52	tested
AFN-003957	B	R1 morpholin-4-yl · R6 O(CH2)3-morpholino · R7 OMe	C26H33N5O4	479.6	3.32	81.2	1	6.70	tested
AFN-003958	B	R1 morpholin-4-yl · R6 O(CH2)3-morpholino · R7 OEt	C27H35N5O4	493.6	3.71	81.2	0	—	designed
AFN-003959	B	R1 morpholin-4-yl · R6 O(CH2)3-morpholino · R7 OCH2CH2OMe	C28H37N5O5	523.6	3.34	90.4	0	—	designed
AFN-003960	B	R1 morpholin-4-yl · R6 O(CH2)3-morpholino · R7 F	C25H30FN5O3	467.6	3.45	72.0	0	—	designed
AFN-003961	B	R1 morpholin-4-yl · R6 O(CH2)3-morpholino · R7 O(CH2)2-morpholino	C31H42N6O5	578.7	3.02	93.7	0	—	designed
AFN-003962	B	R1 morpholin-4-yl · R6 O(CH2)3-morpholino · R7 Cl	C25H30ClN5O3	484.0	3.96	72.0	0	—	designed
AFN-003963	B	R1 morpholin-4-yl · R6 O(CH2)3-morpholino · R7 OH	C25H31N5O4	465.6	3.02	92.2	0	—	designed
AFN-003964	B	R1 morpholin-4-yl · R6 acrylamido · R7 H	C21H21N5O2	375.4	3.33	79.4	0	—	designed
AFN-003965	B	R1 morpholin-4-yl · R6 acrylamido · R7 OMe	C22H23N5O3	405.5	3.34	88.6	0	—	designed
AFN-003966	B	R1 morpholin-4-yl · R6 acrylamido · R7 OEt	C23H25N5O3	419.5	3.73	88.6	1	7.81	tested
AFN-003967	B	R1 morpholin-4-yl · R6 acrylamido · R7 OCH2CH2OMe	C24H27N5O4	449.5	3.36	97.8	0	—	designed
AFN-003968	B	R1 morpholin-4-yl · R6 acrylamido · R7 F	C21H20FN5O2	393.4	3.47	79.4	0	—	designed
AFN-003969	B	R1 morpholin-4-yl · R6 acrylamido · R7 O(CH2)2-morpholino	C27H32N6O4	504.6	3.05	101.1	0	—	designed
AFN-003970	B	R1 morpholin-4-yl · R6 acrylamido · R7 Cl	C21H20ClN5O2	409.9	3.99	79.4	0	—	designed
AFN-003971	B	R1 morpholin-4-yl · R6 acrylamido · R7 OH	C21H21N5O3	391.4	3.04	99.6	0	—	designed
AFN-003972	B	R1 4-Me-piperazin-1-yl · R6 H · R7 H	C19H21N5	319.4	3.13	44.3	1	6.31	tested
AFN-003973	B	R1 4-Me-piperazin-1-yl · R6 H · R7 OMe	C20H23N5O	349.4	3.13	53.5	0	—	designed
AFN-003974	B	R1 4-Me-piperazin-1-yl · R6 H · R7 OEt	C21H25N5O	363.5	3.52	53.5	0	—	designed
AFN-003975	B	R1 4-Me-piperazin-1-yl · R6 H · R7 OCH2CH2OMe	C22H27N5O2	393.5	3.15	62.8	0	—	designed
AFN-003976	B	R1 4-Me-piperazin-1-yl · R6 H · R7 F	C19H20FN5	337.4	3.26	44.3	0	—	designed
AFN-003977	B	R1 4-Me-piperazin-1-yl · R6 H · R7 O(CH2)2-morpholino	C25H32N6O2	448.6	2.84	66.0	0	—	designed
AFN-003978	B	R1 4-Me-piperazin-1-yl · R6 H · R7 Cl	C19H20ClN5	353.9	3.78	44.3	0	—	designed
AFN-003979	B	R1 4-Me-piperazin-1-yl · R6 H · R7 OH	C19H21N5O	335.4	2.83	64.5	0	—	designed
AFN-003980	B	R1 4-Me-piperazin-1-yl · R6 OMe · R7 H	C20H23N5O	349.4	3.13	53.5	0	—	designed
AFN-003981	B	R1 4-Me-piperazin-1-yl · R6 OMe · R7 OMe	C21H25N5O2	379.5	3.14	62.8	1	7.13	tested
AFN-003982	B	R1 4-Me-piperazin-1-yl · R6 OMe · R7 OEt	C22H27N5O2	393.5	3.53	62.8	0	—	designed
AFN-003983	B	R1 4-Me-piperazin-1-yl · R6 OMe · R7 OCH2CH2OMe	C23H29N5O3	423.5	3.16	72.0	0	—	designed
AFN-003984	B	R1 4-Me-piperazin-1-yl · R6 OMe · R7 F	C20H22FN5O	367.4	3.27	53.5	0	—	designed
AFN-003985	B	R1 4-Me-piperazin-1-yl · R6 OMe · R7 O(CH2)2-morpholino	C26H34N6O3	478.6	2.84	75.2	0	—	designed
AFN-003986	B	R1 4-Me-piperazin-1-yl · R6 OMe · R7 Cl	C20H22ClN5O	383.9	3.79	53.5	1	6.90	tested
AFN-003987	B	R1 4-Me-piperazin-1-yl · R6 OMe · R7 OH	C20H23N5O2	365.4	2.84	73.8	0	—	designed
AFN-003988	B	R1 4-Me-piperazin-1-yl · R6 OEt · R7 H	C21H25N5O	363.5	3.52	53.5	1	6.91	tested
AFN-003989	B	R1 4-Me-piperazin-1-yl · R6 OEt · R7 OMe	C22H27N5O2	393.5	3.53	62.8	0	—	designed
AFN-003990	B	R1 4-Me-piperazin-1-yl · R6 OEt · R7 OEt	C23H29N5O2	407.5	3.92	62.8	1	6.83	tested
AFN-003991	B	R1 4-Me-piperazin-1-yl · R6 OEt · R7 OCH2CH2OMe	C24H31N5O3	437.5	3.55	72.0	0	—	designed
AFN-003992	B	R1 4-Me-piperazin-1-yl · R6 OEt · R7 F	C21H24FN5O	381.5	3.66	53.5	0	—	designed
AFN-003993	B	R1 4-Me-piperazin-1-yl · R6 OEt · R7 O(CH2)2-morpholino	C27H36N6O3	492.6	3.23	75.2	0	—	designed
AFN-003994	B	R1 4-Me-piperazin-1-yl · R6 OEt · R7 Cl	C21H24ClN5O	397.9	4.18	53.5	0	—	designed
AFN-003995	B	R1 4-Me-piperazin-1-yl · R6 OEt · R7 OH	C21H25N5O2	379.5	3.23	73.8	0	—	designed
AFN-003996	B	R1 4-Me-piperazin-1-yl · R6 OCH2CH2OMe · R7 H	C22H27N5O2	393.5	3.15	62.8	0	—	designed
AFN-003997	B	R1 4-Me-piperazin-1-yl · R6 OCH2CH2OMe · R7 OMe	C23H29N5O3	423.5	3.16	72.0	0	—	designed
AFN-003998	B	R1 4-Me-piperazin-1-yl · R6 OCH2CH2OMe · R7 OEt	C24H31N5O3	437.5	3.55	72.0	0	—	designed
AFN-003999	B	R1 4-Me-piperazin-1-yl · R6 OCH2CH2OMe · R7 OCH2CH2OMe	C25H33N5O4	467.6	3.18	81.2	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