PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

O=C1CCC(N2Cc3c(ccnc3SN3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)C2=S)C(=O)N1

Compound summary

Compound IDPGDB_C022050

FormulaC29H27F2N5O2S2

Molecular weight579.698

InChIKeyQQBRFHHMNCTTLC-UHFFFAOYSA-N

Physicochemical properties

Exact mass579.1574

RDKit cLogP4.07

TPSA68.8

HBD / HBA1 / 7

Rotatable bonds6

Heavy atoms40

Hetero atoms11

Rings / aromatic6 / 3

Fraction Csp30.31

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Inhibition	-	=	30-40	%	10 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A081964	PGDB_C022050	PGDB_AS000053	View
% Inhibition	-	=	20-30	%	10 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A082334	PGDB_C022050	PGDB_AS001289	View
% Degradation	-	=	80-100	%	-	-	-	-	-	CN119654316A	PGDB_A083026	PGDB_C022050	PGDB_AS000466	View
% Inhibition	-	=	40-50	%	500 nM	96 h	-	-	RPMI-8226	CN119654316A	PGDB_A083241	PGDB_C022050	PGDB_AS000560	View
% Degradation	-	=	0-80	%	-	-	IKZF3	-	-	CN119654316A	PGDB_A083243	PGDB_C022050	PGDB_AS000017	View
% Inhibition	-	=	40-60	%	500 nM	-	-	-	MV-4-11	CN119654316A	PGDB_A083521	PGDB_C022050	PGDB_AS001323	View
% Degradation	-	=	0-80	%	-	-	IKZF1	-	-	CN119654316A	PGDB_A083657	PGDB_C022050	PGDB_AS001680	View
% Degradation	-	=	0-80	%	-	-	IKZF2	-	-	CN119654316A	PGDB_A084093	PGDB_C022050	PGDB_AS002430	View
% Inhibition	-	=	53-60	%	2 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A084116	PGDB_C022050	PGDB_AS002552	View
% Degradation	-	=	0-80	%	-	-	WEE1	-	-	CN119654316A	PGDB_A084747	PGDB_C022050	PGDB_AS001023	View
% Degradation	-	=	0-80	%	-	-	GSPT1	-	-	CN119654316A	PGDB_A085112	PGDB_C022050	PGDB_AS000660	View
% Inhibition	-	=	20-30	%	0.5 uM	3 h	CRBN	CRBN	-	CN119654316A	PGDB_A085396	PGDB_C022050	PGDB_AS001405	View

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