Compound Detail

CHEMBL282842

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N[C@H](C(=O)O)[C@@H]1C[C@@H]1C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL282842
Phase	Preclinical
Structure Type	MOL
InChI Key	GZOVEPYOCJWRFC-UZBSEBFBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

159.1

MW (Da)

-0.88

ALogP

HBA

HBD

100.6

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

EC50 4 meas. best 7.44

Ki 4 meas. best 8.19

IC50 3 meas. best 8.28

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Glutamate NMDA receptor CHEMBL1907608	IC50	8.28	8.28	5.2	1
Glutamate NMDA receptor CHEMBL1907608	Ki	8.19	8.12	6.5	2
Ionotropic glutamate receptor NMDA 1/2D CHEMBL3038506	EC50	7.44	7.44	36.0	1
Glutamate NMDA receptor; Grin1/Grin2b CHEMBL2096666	EC50	7.08	7.08	83.0	1
Glutamate NMDA receptor; Grin1/Grin2c CHEMBL2096911	EC50	6.96	6.96	110.0	1
Glutamate NMDA receptor; Grin1/Grin2a CHEMBL2096680	EC50	6.58	6.58	262.0	1
Unchecked CHEMBL612545	Ki	6.51	6.235	310.0	2
Glutamate receptor ionotropic, AMPA CHEMBL2093871	IC50	6.22	6.22	600.0	1
Glutamate receptor ionotropic, kainate CHEMBL2094119	IC50	5.8	5.8	1600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Glutamate NMDA receptor	IC50	=	5.2	nM	8.28	Compound was evaluated for the inhibition of [3H]CGS-19,755 binding to NMDA rece...	-
Glutamate NMDA receptor	Ki	=	6.5	nM	8.19	Displacement of [3H]CGP39653 from NMDA receptor in rat cortical synaptosomes	23614571
Glutamate NMDA receptor	Ki	=	9.0	nM	8.05	Displacement of [3H]CGP-39653 from rat NMDA receptor expressed in BHK cells	17725337
Ionotropic glutamate receptor NMDA 1/2D	EC50	=	36.0	nM	7.44	Agonist activity at rat recombinant wild type GluN1/GluN2D receptor expressed in...	23614571
Glutamate NMDA receptor; Grin1/Grin2b	EC50	=	83.0	nM	7.08	Agonist activity at rat recombinant wild type GluN1/GluN2B receptor expressed in...	23614571
Glutamate NMDA receptor; Grin1/Grin2c	EC50	=	110.0	nM	6.96	Agonist activity at rat recombinant wild type GluN1/GluN2C receptor expressed in...	23614571
Glutamate NMDA receptor; Grin1/Grin2a	EC50	=	262.0	nM	6.58	Agonist activity at rat recombinant wild type GluN1/GluN2A receptor expressed in...	23614571
Unchecked	Ki	=	310.0	nM	6.51	Displacement of [3H]KA from KA receptor in rat cortical synaptosomes	23614571
Glutamate receptor ionotropic, AMPA	IC50	=	600.0	nM	6.22	Compound was evaluated for the inhibition of [3H]AMPA binding to Ionotropic glut...	-
Unchecked	Ki	=	1100.0	nM	5.96	Displacement of [3H]AMPA from AMPA receptor in rat cortical synaptosomes	23614571
Glutamate receptor ionotropic, kainate	IC50	=	1600.0	nM	5.8	Compound was evaluated for the inhibition of [3H]-KA binding to Ionotropic gluta...	-

PubMed	DOI	Target Context	# Activities
8558509	10.1021/jm9502908	No relevant target	3
23614571	10.1021/jm400346a	Ionotropic glutamate receptor NMDA 1/2D	2
23614571	10.1021/jm400346a	Glutamate NMDA receptor; Grin1/Grin2c	2
23614571	10.1021/jm400346a	Glutamate NMDA receptor; Grin1/Grin2b	2
23614571	10.1021/jm400346a	Glutamate NMDA receptor; Grin1/Grin2a	2
23614571	10.1021/jm400346a	Unchecked	2
-	10.1016/0960-894X(96)00436-2	Glutamate receptor ionotropic, kainate	1
-	10.1016/0960-894X(96)00436-2	Glutamate receptor ionotropic, AMPA	1
-	10.1016/0960-894X(96)00436-2	Glutamate NMDA receptor	1
8558509	10.1021/jm9502908	Rattus norvegicus	1
8558509	10.1021/jm9502908	Glutamate receptor ionotropic, kainate	1
1533422	10.1021/jm00086a004	Glutamate NMDA receptor	1
17725337	10.1021/jm070322e	Glutamate NMDA receptor	1
23614571	10.1021/jm400346a	Glutamate NMDA receptor	1

Data from ChEMBL 36 via Core Engine