Compound Detail

CHEMBL456807

PHENYLHYDRAZINE

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NNc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL456807
Name	PHENYLHYDRAZINE
Phase	Preclinical
Structure Type	MOL
InChI Key	HKOOXMFOFWEVGF-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

108.1

MW (Da)

0.97

ALogP

HBA

HBD

38.0

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 11 meas. best 6.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Indoleamine 2,3-dioxygenase 1 CHEMBL1075294	IC50	6.7	6.7	200.0	1
Indoleamine 2,3-dioxygenase 1 CHEMBL4685	IC50	6.64	6.3767	230.0	3
Cytochrome P450 3A4 CHEMBL340	IC50	6.05	6.05	900.0	1
Prostaglandin G/H synthase 2 CHEMBL230	IC50	5.82	5.82	1514.0	1
Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL4358	IC50	5.78	5.78	1666.0	1
Cytochrome P450 2D6 CHEMBL289	IC50	5.52	5.52	3000.0	1
Cytochrome P450 2C19 CHEMBL3622	IC50	5.3	5.3	5000.0	1
Cytochrome P450 2C9 CHEMBL3397	IC50	5.22	5.22	6000.0	1
Cytochrome P450 1A2 CHEMBL3356	IC50	5.1	5.1	8000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Indoleamine 2,3-dioxygenase 1	IC50	=	200.0	nM	6.7	Inhibition of mouse IDO1 expressed in mouse LLTC cells using L-tryptophan as sub...	24262887
Indoleamine 2,3-dioxygenase 1	IC50	=	230.0	nM	6.64	Inhibition of recombinant human IDO1 assessed as reduction in kynurenine product...	26717206
Indoleamine 2,3-dioxygenase 1	IC50	=	250.0	nM	6.6	Inhibition of recombinant human IDO1 expressed in Escherichia coli EC538 using L...	24262887
Cytochrome P450 3A4	IC50	=	900.0	nM	6.05	DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluorome...	-
Indoleamine 2,3-dioxygenase 1	IC50	=	1300.0	nM	5.89	Inhibition of human IDO1 expressed in mouse LLTC cells using L-tryptophan as sub...	24262887
Prostaglandin G/H synthase 2	IC50	=	1514.0	nM	5.82	DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid)	-
Polyunsaturated fatty acid lipoxygenase ALOX15	IC50	=	1666.0	nM	5.78	DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid)	-
Cytochrome P450 2D6	IC50	=	3000.0	nM	5.52	DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)	-
Cytochrome P450 2C19	IC50	=	5000.0	nM	5.3	DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)	-
Cytochrome P450 2C9	IC50	=	6000.0	nM	5.22	DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)	-
Cytochrome P450 1A2	IC50	=	8000.0	nM	5.1	DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin)	-

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3885881	Rattus norvegicus	441
24262887	10.1016/j.bmc.2013.10.037	Indoleamine 2,3-dioxygenase 1	6
18834112	10.1021/jm800656v	Amine oxidase [flavin-containing] A	1
24262887	10.1016/j.bmc.2013.10.037	ADMET	1
26717206	10.1016/j.ejmech.2015.12.028	Indoleamine 2,3-dioxygenase 1	1
28527406	10.1016/j.ejmech.2017.05.015	Histone acetyltransferase KAT8	1

Data from ChEMBL 36 via Core Engine