Compound Detail

CHEMBL96250

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Cc1c(O)c(=O)ccn1CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL96250
Phase	Preclinical
Structure Type	MOL
InChI Key	DWWCRHXWYPQSBN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

357.5

MW (Da)

4.41

ALogP

HBA

HBD

62.5

PSA (Å²)

0.86

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.52

EC50 1 meas. best 6.52

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Rattus norvegicus CHEMBL376	EC50	6.52	6.52	300.0	1
Rattus norvegicus CHEMBL376	IC50	6.52	6.52	300.0	2
Unchecked CHEMBL612545	IC50	6.52	6.52	300.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Rattus norvegicus	EC50	=	300.0	nM	6.52	Ability to protect cerebellar granule cells (CGC) from iodoacetate (IAA)-induced...	10956184
Rattus norvegicus	IC50	=	300.0	nM	6.52	Compound was tested for 50% Inhibition of lipid peroxidation in rat brain homoge...	10956184
Rattus norvegicus	IC50	=	300.0	nM	6.52	Compound was tested for its inhibitory activity against lipid peroxidation in ra...	12392736
Unchecked	IC50	=	300.0	nM	6.52	Neuroprotective activity in CGC cells assessed as inhibition of lipid peroxidati...	34023737

PubMed	DOI	Target Context	# Activities
10956184	10.1021/jm990945v	Rattus norvegicus	3
12392736	10.1016/s0960-894x(02)00698-4	Rattus norvegicus	1
34023737	10.1016/j.ejmech.2021.113546	Unchecked	1

Data from ChEMBL 36 via Core Engine