Compound Detail

CHEMBL2332430

PROCURCUMENOL

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CC1=CC(=O)C(=C(C)C)C[C@H]2[C@H]1CC[C@]2(C)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2332430
Name	PROCURCUMENOL
Phase	Preclinical
Structure Type	MOL
InChI Key	RHBOHEXDGUVIIY-WHOFXGATSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

234.3

MW (Da)

3.02

ALogP

HBA

HBD

37.3

PSA (Å²)

0.65

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 3 meas. best 4.86

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
RAW264.7 CHEMBL612557	IC50	4.86	4.86	13700.0	1
Tyrosine-protein phosphatase non-receptor type 2 CHEMBL3807	IC50	4.57	4.57	26800.0	1
Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335	IC50	4.34	4.34	45600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
RAW264.7	IC50	=	13700.0	nM	4.86	Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-...	23755850
Tyrosine-protein phosphatase non-receptor type 2	IC50	=	26800.0	nM	4.57	Inhibition of TCPTP (unknown origin) assessed as decrease in p-nitrophenol produ...	23387824
Tyrosine-protein phosphatase non-receptor type 1	IC50	=	45600.0	nM	4.34	Inhibition of PTP1B (unknown origin) assessed as decrease in p-nitrophenol produ...	23387824

PubMed	DOI	Target Context	# Activities
29236488	10.1021/acs.jnatprod.6b01100	PC-12	3
23387824	10.1021/np300694a	Tyrosine-protein phosphatase non-receptor type 2	2
23387824	10.1021/np300694a	Tyrosine-protein phosphatase non-receptor type 1	2
23755850	10.1021/np400202f	RAW264.7	2

Data from ChEMBL 36 via Core Engine