PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC1(C)CCC(CN2CCN(C3CCN(Cc4ccc5c(c4F)CN(C4CCC(=O)NC4=O)C5=O)CC3(F)F)CC2)=C(c2ccc(Cl)cc2)C1

Compound summary

Compound IDPGDB_C000809

FormulaC38H45ClF3N5O3

Molecular weight712.257

InChIKeyZTOLOMOXHDOPSR-UHFFFAOYSA-N

Physicochemical properties

Exact mass711.3163

RDKit cLogP5.73

TPSA76.2

HBD / HBA1 / 6

Rotatable bonds7

Heavy atoms50

Hetero atoms12

Rings / aromatic7 / 2

Fraction Csp30.55

Formal charge0

Fragments1

Activity compounds and values

Activity records

12 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A014935	PGDB_C000809	PGDB_AS002025	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A018759	PGDB_C000809	PGDB_AS001466	View
% Inhibition	-	=	60-70	%	2 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A026047	PGDB_C000809	PGDB_AS001462	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A031844	PGDB_C000809	PGDB_AS000102	View
% Inhibition	-	=	40-50	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A034690	PGDB_C000809	PGDB_AS002390	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A046088	PGDB_C000809	PGDB_AS001449	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A047141	PGDB_C000809	PGDB_AS001655	View
% Inhibition	-	=	30-40	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A051419	PGDB_C000809	PGDB_AS000115	View
% Inhibition	-	=	30-40	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A052327	PGDB_C000809	PGDB_AS000157	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A052757	PGDB_C000809	PGDB_AS000946	View
% Inhibition	-	=	20-30	%	0.5 uM	-	CRBN	CRBN	-	CN120548310A	PGDB_A074803	PGDB_C000809	PGDB_AS002000	View
% Inhibition	-	=	40-50	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A076084	PGDB_C000809	PGDB_AS001320	View

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