N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide (CED0071961)

Record Information

Version

1.0

Creation Date

2026-08-22 14:11:54 UTC

Update Date

2026-08-22 14:11:54 UTC

SynCED ID

CED0071961

Secondary Accession Numbers

CHEM216310

Identification

Common Name

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide

Class

Small Molecule

Description

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide belongs to the piperazines, a subclass of diazinanes within the organic compounds. It is categorized as an organoheterocyclic compound with the formula C41H43ClFN9O6. With an average molecular weight of 812.30 g/mol, N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₁H₄₃ClFN₉O₆

Average Molecular Mass

812.300 g/mol

Monoisotopic Mass

811.301 g/mol

CAS Registry Number

2222112-77-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C41H43ClFN9O6/c42-31-19-28(4-1-25(31)22-44)58-27-5-2-26(3-6-27)45-38(54)33-7-9-36(48-47-33)51-13-11-24(12-14-51)23-49-15-17-50(18-16-49)35-21-30-29(20-32(35)43)40(56)52(41(30)57)34-8-10-37(53)46-39(34)55/h1,4,7,9,19-21,24,26-27,34H,2-3,5-6,8,10-18,23H2,(H,45,54)(H,46,53,55)

InChI Key

CLCTZVRHDOAUGJ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
2076.0 Log mg/kg [1200:3700]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
Prostate cancer	Not Available	Not Available	A male reproductive organ cancer that is located in the prostate. (DO)	PMC10050664 , PMC9872387

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000539	Video Games?Video games, through their production and disposal processes, can be a source of synthetic chemical contamination.	Electrical & Electronic Equipment	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000606	Plant Growth Regulators?Plant Growth Regulators (PGRs) are synthetic chemicals designed to influence the growth and development of plants.	Agriculture & land management	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000735	Explosives?Explosives are chemical compounds or mixtures designed to undergo rapid decomposition, releasing energy in the form of gas and heat.	Defense & military infrastructure	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Androgen receptor	P10275	Humans	Known	Not Available
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.286 Low confidence Statistical Significance 0.2134 Supporting Reference Compounds 507 E-value 1661.3
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.287 Low confidence Statistical Significance 0.6243 Supporting Reference Compounds 1538 E-value 4860.28
Click to view 3D structure	5'-AMP-activated protein kinase catalytic subunit alpha-2	P54646	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.308 Statistical Significance 0.0838 Supporting Reference Compounds 98 E-value 652.454
Click to view 3D structure	C-C chemokine receptor type 3	P51677	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.286 Low confidence Statistical Significance 0.0336 Supporting Reference Compounds 33 E-value 261.807
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.244 Low confidence Statistical Significance 0.6653 Supporting Reference Compounds 1498 E-value 5179.08
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.248 Low confidence Statistical Significance 0.3742 Supporting Reference Compounds 861 E-value 2913.35
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.248 Low confidence Statistical Significance 0.4277 Supporting Reference Compounds 1103 E-value 3329.61
Click to view 3D structure	Atypical chemokine receptor 3	O89039	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.237 Low confidence Statistical Significance 0.0035 Supporting Reference Compounds 1 E-value 27.5586
Click to view 3D structure	Atypical chemokine receptor 3	P11613	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.237 Low confidence Statistical Significance 0.0035 Supporting Reference Compounds 1 E-value 27.5586
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34913	Humans	Predicted (SEA)	Prediction Confidence Score 0.234 Applicability Domain 0.258 Low confidence Statistical Significance 0.1402 Supporting Reference Compounds 93 E-value 1091.52
Click to view 3D structure	Protein cereblon	Q96SW2	Humans	Predicted (SEA)	Prediction Confidence Score 0.233 Applicability Domain 0.253 Low confidence Statistical Significance 0.0032 Supporting Reference Compounds 23 E-value 24.9896
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.246 Low confidence Statistical Significance 0.6647 Supporting Reference Compounds 1130 E-value 5174.87
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.248 Low confidence Statistical Significance 0.3429 Supporting Reference Compounds 524 E-value 2669.29
Click to view 3D structure	D(3) dopamine receptor	P19020	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.236 Low confidence Statistical Significance 0.1516 Supporting Reference Compounds 145 E-value 1180.04
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.248 Low confidence Statistical Significance 0.4992 Supporting Reference Compounds 955 E-value 3886.16
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.248 Low confidence Statistical Significance 0.4778 Supporting Reference Compounds 953 E-value 3719.87
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.228 Applicability Domain 0.246 Low confidence Statistical Significance 0.7542 Supporting Reference Compounds 1245 E-value 5871.31
Click to view 3D structure	RAF proto-oncogene serine/threonine-protein kinase	P04049	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.258 Low confidence Statistical Significance 0.2864 Supporting Reference Compounds 263 E-value 2229.91
Click to view 3D structure	Acyl-CoA desaturase 1	P13516	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.313 Statistical Significance 0.0025 Supporting Reference Compounds 7 E-value 19.3845
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.236 Low confidence Statistical Significance 0.326 Supporting Reference Compounds 528 E-value 2537.81
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.248 Low confidence Statistical Significance 0.5096 Supporting Reference Compounds 823 E-value 3967.43
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.246 Low confidence Statistical Significance 0.6602 Supporting Reference Compounds 825 E-value 5140.0
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.248 Low confidence Statistical Significance 0.3413 Supporting Reference Compounds 425 E-value 2657.07
Click to view 3D structure	3',5'-cyclic-AMP phosphodiesterase 4B	Q07343	Humans	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.241 Low confidence Statistical Significance 0.1575 Supporting Reference Compounds 121 E-value 1225.89
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.246 Low confidence Statistical Significance 0.6878 Supporting Reference Compounds 793 E-value 5354.7