Compound Detail

CHEMBL7660

PHENIDONE

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O=C1CCN(c2ccccc2)N1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL7660
Name	PHENIDONE
Phase	Preclinical
Structure Type	MOL
InChI Key	CMCWWLVWPDLCRM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

162.2

MW (Da)

0.93

ALogP

HBA

HBD

32.3

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C9H10N2O
MW	162.19
Aromatic Rings	1
Heavy Atoms	12
NP-Likeness	-0.30

Activity Summary

IC50 39 meas. best 7.0

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687	IC50	7.0	7.0	100.0	2
Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215	IC50	6.52	5.93	300.0	6
Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903	IC50	6.38	6.14	420.0	3
Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312	IC50	6.32	5.828	480.0	15
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212	IC50	5.87	5.87	1340.0	1
Cyclooxygenase CHEMBL2095157	IC50	5.52	5.1	3000.0	3
Cyclooxygenase CHEMBL2096674	IC50	5.16	5.16	6900.0	1
Homo sapiens CHEMBL372	IC50	5.1	5.1	8000.0	1
Unchecked CHEMBL612545	IC50	4.93	4.515	11800.0	2
Cyclooxygenase CHEMBL2094253	IC50	4.92	4.475	12000.0	4
Glucose-6-phosphate 1-dehydrogenase CHEMBL5347	IC50	4.38	4.38	42100.0	1

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Polyunsaturated fatty acid lipoxygenase ALOX12	IC50	=	100.0	nM	7.0	Inhibitory activity against human platelet 12-lipoxygenase was evaluated	-
Polyunsaturated fatty acid lipoxygenase ALOX12	IC50	=	100.0	nM	7.0	Compound was tested in vitro for inhibition of 12-LO human platelet	8831760
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	300.0	nM	6.52	In vitro 5-lipoxygenase inhibitory activity against calcium ionophore (A23187) i...	8831760
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	300.0	nM	6.52	Inhibitory activity against human whole blood, LTB4 5-lipoxygenase was evaluated	-
Polyunsaturated fatty acid lipoxygenase ALOX15	IC50	=	420.0	nM	6.38	Compound was tested in vitro for inhibition of 15-lipoxygenase soybean	8831760
Polyunsaturated fatty acid lipoxygenase ALOX15	IC50	=	420.0	nM	6.38	Inhibitory activity against soybean 15-lipoxygenase was evaluated	-
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	480.0	nM	6.32	Inhibition of 5-Lipoxygenase of rat basophilic leukemia cells	-
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	520.0	nM	6.28	In vitro inhibition of rat 5-Lipoxygenase	1903450
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	520.0	nM	6.28	In vitro 5-lipoxygenase inhibitory activity against calcium ionophore (A23187) i...	8831760
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	520.0	nM	6.28	Inhibitory activity against intact rat PMNL, LTB4 5-lipoxygenase was evaluated	-
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	570.0	nM	6.24	Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic ...	2104936
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	1000.0	nM	6.0	In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined	8254620
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	1300.0	nM	5.89	In vitro 5-lipoxygenase inhibitory activity against calcium ionophore (A23187) i...	8831760
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	1300.0	nM	5.89	Inhibitory activity against intact human PMNL, LTB4 5-lipoxygenase was evaluated	-
Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	IC50	=	1340.0	nM	5.87	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	1900.0	nM	5.72	Inhibitory activity against 5-lipoxygenase.	-
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	1900.0	nM	5.72	Inhibition of 5-lipoxygenase catalysis in rat basophilic leukemia (RBL) cells by...	8831760
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	1900.0	nM	5.72	In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells.	-
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	1900.0	nM	5.72	Inhibitory activity against RBL broken cell-supematant 5-lipoxygenase was evalua...	-
Polyunsaturated fatty acid 5-lipoxygenase	IC50	=	2100.0	nM	5.68	In vitro inhibitory activity against 5-lipoxygenase from rat basophilic leukemia...	3599023

Literature References

PubMed	DOI	Target Context	# Activities
-	10.1016/S0960-894X(00)80511-9	Polyunsaturated fatty acid 5-lipoxygenase	4
8831760	10.1021/jm960372b	Polyunsaturated fatty acid 5-lipoxygenase	4
-	10.1016/S0960-894X(00)80511-9	Cyclooxygenase	3
8831760	10.1021/jm960372b	Cyclooxygenase	3
7731014	10.1021/jm00008a006	Rattus norvegicus	3
1903450	10.1021/jm00109a006	Polyunsaturated fatty acid 5-lipoxygenase	2
2104936	10.1021/jm00163a058	Mus musculus	2
-	10.6019/CHEMBL4495565	SARS-CoV-2	2
1848292	10.1021/jm00107a023	Polyunsaturated fatty acid 5-lipoxygenase	2
1848292	10.1021/jm00107a023	Cyclooxygenase	1
11277534	10.1016/s0960-894x(01)00077-4	Polyunsaturated fatty acid 5-lipoxygenase	1
2104936	10.1021/jm00163a058	Polyunsaturated fatty acid 5-lipoxygenase	1
3806609	10.1021/jm00385a005	Polyunsaturated fatty acid 5-lipoxygenase	1
-	10.1016/S0960-894X(00)80622-8	Cyclooxygenase	1
-	10.1016/S0960-894X(00)80622-8	Phospholipase A2, membrane associated	1
-	10.1016/S0960-894X(00)80622-8	Polyunsaturated fatty acid 5-lipoxygenase	1
8831760	10.1021/jm960372b	Polyunsaturated fatty acid lipoxygenase ALOX12	1
8831760	10.1021/jm960372b	Polyunsaturated fatty acid lipoxygenase ALOX15	1
33422907	10.1016/j.bmc.2020.115971	Unchecked	1
1903450	10.1021/jm00109a006	No relevant target	1

Data from ChEMBL 36 via Core Engine