PatGlueDB | Molecular Glue Patent Bioactivity Database

2D structure

CC1(C)CCC(CN2CCN(C3CCN(Cc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3(F)F)CC2)=C(c2ccc(Cl)cc2)C1

Compound summary

Compound IDPGDB_C000811

FormulaC38H46ClF2N5O3

Molecular weight694.267

InChIKeyNNAWXSXJWJRFSM-UHFFFAOYSA-N

Physicochemical properties

Exact mass693.3257

RDKit cLogP5.59

TPSA76.2

HBD / HBA1 / 6

Rotatable bonds7

Heavy atoms49

Hetero atoms11

Rings / aromatic7 / 2

Fraction Csp30.55

Formal charge0

Fragments1

Activity compounds and values

Activity records

8 records

	Control		Value		Concentration	Time					Record ID	Compound	Assay	Details
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	CSNK1A1	-	-	CN120548310A	PGDB_A015097	PGDB_C000811	PGDB_AS001449	View
% Inhibition	-	=	40-50	%	1 uM	24 h	-	-	-	CN120548310A	PGDB_A030012	PGDB_C000811	PGDB_AS000157	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF1	-	-	CN120548310A	PGDB_A045201	PGDB_C000811	PGDB_AS000946	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF2	-	-	CN120548310A	PGDB_A057711	PGDB_C000811	PGDB_AS002025	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	IKZF3	-	-	CN120548310A	PGDB_A063288	PGDB_C000811	PGDB_AS000102	View
% Degradation	-	=	0-20	%	Concentration series: 500 nM, 50 nM	24 h	WEE1	-	-	CN120548310A	PGDB_A064640	PGDB_C000811	PGDB_AS001655	View
% Inhibition	-	=	40-50	%	0.1 uM	24 h	-	-	-	CN120548310A	PGDB_A074911	PGDB_C000811	PGDB_AS001320	View
% Degradation	-	>=	20	%	Concentration series: 500 nM, 50 nM	24 h	GSPT1	-	-	CN120548310A	PGDB_A077782	PGDB_C000811	PGDB_AS001466	View

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