Compound Detail

CHEMBL5434506

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Cl.N[C@@H](Cc1ccc(=O)n(O)c1)C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5434506
Phase	Preclinical
Structure Type	MOL
InChI Key	JBRVHKSSAOHJOY-RGMNGODLSA-N
Parent Compound	CHEMBL5500014
Active Moiety	CHEMBL5500014

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

198.2

MW (Da)

-0.96

ALogP

HBA

HBD

105.5

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Ki 3 meas. best 5.1

IC50 1 meas. best 4.13

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tyrosinase CHEMBL1973	Ki	5.1	5.1	8000.0	1
Mushroom tyrosinase CHEMBL6066154	Ki	4.9	4.9	12500.0	1
Tyrosinase CHEMBL5465284	Ki	4.41	4.41	39000.0	1
Tyrosinase CHEMBL1973	IC50	4.13	4.13	73600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tyrosinase	Ki	=	8000.0	nM	5.1	Competitive inhibition of human recombinant tyrosinase expressed in Sf9 cells us...	36634457
Mushroom tyrosinase	Ki	=	12500.0	nM	4.9	Competitive inhibition of Agaricus bisporus tyrosinase using L-DOPA as substrate...	36634457
Tyrosinase	Ki	=	39000.0	nM	4.41	Competitive inhibition of Streptomyces antibioticus tyrosinase using L-DOPA as s...	36634457
Tyrosinase	IC50	=	73600.0	nM	4.13	Inhibition of tyrosinase in human MNT-1 cell lysates assessed as inhibition of m...	36634457

PubMed	DOI	Target Context	# Activities
36634457	10.1016/j.ejmech.2023.115090	Tyrosinase	4
36634457	10.1016/j.ejmech.2023.115090	Mushroom tyrosinase	1

Data from ChEMBL 36 via Core Engine