zk 168281 profile

ZK 168281: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

ID Source	ID
PubMed CID	9806383
CHEMBL ID	2112315
CHEBI ID	166756
MeSH ID	M0375766

Synonym
ethyl (e)-3-[1-[(e,1r,4r)-4-[(1r,3as,4e,7ar)-4-[(2z)-2-[(3s,5r)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-1-hydroxypent-2-enyl]cyclopropyl]prop-2-enoate
CHEBI:166756
(5z,7e,22e)-(1s,3r,24r)-25-(carboethoxy-methylene)-26,26-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol
LMST03020622 ,
zk 168281
CHEMBL2112315 ,
zk-168281
bdbm50409927
186371-96-0
zk168281
HY-12407
CS-0011256
MS-29484
AKOS040740614

Class	Description
vitamin D	Any member of a group of fat-soluble hydroxy seco-steroids that exhibit biological activity against vitamin D deficiency. Vitamin D can be obtained from sun exposure, food and supplements and is biologically inactive and converted into the biologically active calcitriol via double hydroxylation in the body.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Vitamin D3 receptor	Homo sapiens (human)	EC50 (µMol)	0.0003	0.0000	0.1423	2.1400	AID216995
Vitamin D3 receptor A	Danio rerio (zebrafish)	Kd	30.0000	1.2000	1.2000	1.2000	AID1661608
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
negative regulation of DNA-templated transcription	Vitamin D3 receptor	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Vitamin D3 receptor	Homo sapiens (human)
cell morphogenesis	Vitamin D3 receptor	Homo sapiens (human)
skeletal system development	Vitamin D3 receptor	Homo sapiens (human)
calcium ion transport	Vitamin D3 receptor	Homo sapiens (human)
intracellular calcium ion homeostasis	Vitamin D3 receptor	Homo sapiens (human)
lactation	Vitamin D3 receptor	Homo sapiens (human)
negative regulation of cell population proliferation	Vitamin D3 receptor	Homo sapiens (human)
positive regulation of gene expression	Vitamin D3 receptor	Homo sapiens (human)
negative regulation of keratinocyte proliferation	Vitamin D3 receptor	Homo sapiens (human)
positive regulation of vitamin D 24-hydroxylase activity	Vitamin D3 receptor	Homo sapiens (human)
positive regulation of bone mineralization	Vitamin D3 receptor	Homo sapiens (human)
phosphate ion transmembrane transport	Vitamin D3 receptor	Homo sapiens (human)
bile acid signaling pathway	Vitamin D3 receptor	Homo sapiens (human)
mRNA transcription by RNA polymerase II	Vitamin D3 receptor	Homo sapiens (human)
positive regulation of keratinocyte differentiation	Vitamin D3 receptor	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Vitamin D3 receptor	Homo sapiens (human)
decidualization	Vitamin D3 receptor	Homo sapiens (human)
intestinal absorption	Vitamin D3 receptor	Homo sapiens (human)
apoptotic process involved in mammary gland involution	Vitamin D3 receptor	Homo sapiens (human)
positive regulation of apoptotic process involved in mammary gland involution	Vitamin D3 receptor	Homo sapiens (human)
regulation of calcidiol 1-monooxygenase activity	Vitamin D3 receptor	Homo sapiens (human)
mammary gland branching involved in pregnancy	Vitamin D3 receptor	Homo sapiens (human)
vitamin D receptor signaling pathway	Vitamin D3 receptor	Homo sapiens (human)
positive regulation of vitamin D receptor signaling pathway	Vitamin D3 receptor	Homo sapiens (human)
response to bile acid	Vitamin D3 receptor	Homo sapiens (human)
multicellular organism development	Vitamin D3 receptor	Homo sapiens (human)
cell differentiation	Vitamin D3 receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
DNA-binding transcription factor activity	Vitamin D3 receptor	Homo sapiens (human)
vitamin D response element binding	Vitamin D3 receptor	Homo sapiens (human)
DNA-binding transcription factor activity, RNA polymerase II-specific	Vitamin D3 receptor	Homo sapiens (human)
DNA binding	Vitamin D3 receptor	Homo sapiens (human)
nuclear receptor activity	Vitamin D3 receptor	Homo sapiens (human)
protein binding	Vitamin D3 receptor	Homo sapiens (human)
zinc ion binding	Vitamin D3 receptor	Homo sapiens (human)
bile acid nuclear receptor activity	Vitamin D3 receptor	Homo sapiens (human)
nuclear retinoid X receptor binding	Vitamin D3 receptor	Homo sapiens (human)
calcitriol binding	Vitamin D3 receptor	Homo sapiens (human)
lithocholic acid binding	Vitamin D3 receptor	Homo sapiens (human)
RNA polymerase II cis-regulatory region sequence-specific DNA binding	Vitamin D3 receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
nucleus	Vitamin D3 receptor	Homo sapiens (human)
nucleus	Vitamin D3 receptor	Homo sapiens (human)
nucleoplasm	Vitamin D3 receptor	Homo sapiens (human)
cytosol	Vitamin D3 receptor	Homo sapiens (human)
RNA polymerase II transcription regulator complex	Vitamin D3 receptor	Homo sapiens (human)
chromatin	Vitamin D3 receptor	Homo sapiens (human)
receptor complex	Vitamin D3 receptor	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (15)

Assay ID	Title	Year	Journal	Article
AID216995	Effective concentration required for inhibition of Vitamin D3 receptor	2004	Journal of medicinal chemistry, Apr-08, Volume: 47, Issue:8	Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor
AID1661603	Binding affinity to H10 to H11 region (416 to 437 residues) of zebrafish VDR LBD assessed as stabilization of structural elements by measuring increase in protection at 10 fold excess compound concentration in presence of SRC1 NR2 coactivator peptide meas	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
AID1661610	Antagonist activity at human VDR expressed in HEK293 EBNA cells co-expressing CYP24A1 promoter region assessed as reduction in 1,25D3-induced receptor activation at 0.1 to 1000 nM incubated for 18 hrs by luciferase reporter gene assay	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
AID1661601	Binding affinity to H3 region (253 to 267 residues) of zebrafish VDR LBD assessed as stabilization of structural elements by measuring increase in protection at 10 fold excess compound concentration in presence of SRC1 NR2 coactivator peptide measured at	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
AID1661605	Binding affinity to H2 region of zebrafish VDR LBD assessed as stabilization of structural elements forming LBP at 10 fold excess compound concentration by HDX-MS analysis	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
AID1661604	Binding affinity to H1 region of zebrafish VDR LBD assessed as stabilization of structural elements forming LBP at 10 fold excess compound concentration by HDX-MS analysis	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
AID1661597	Binding affinity to H12 region of zebrafish VDR LBD assessed as stabilization of structural elements forming LBP at 10 fold excess compound concentration by HDX-MS analysis	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
AID1661608	Binding affinity to zebrafish VDR LBD assessed as Kd for fluorescein-labeled SRC1 NR2 peptide binding by micro-scale thermophoresis method	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
AID1661611	Antagonist activity at full-length zebrafish VDR expressed in rat IEC18 cells co-expressing CYP24A1 promoter region assessed as reduction in 1,25D3-induced receptor activation at 0.1 to 1000 nM incubated for 18 hrs by luciferase reporter gene assay	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
AID1661607	Binding affinity to H12 region of zebrafish VDR LBD assessed as stabilization of structural elements at 10 fold excess compound concentration in presence of SRC1 NR2 coactivator peptide by HDX-MS analysis	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
AID1661609	Antagonist activity at human VDR expressed in HEK293 EBNA cells co-expressing CYP24A1 promoter region assessed as reduction in 1,25D3-induced receptor activation at 0.1 to 1000 nM incubated for 18 hrs by luciferase reporter gene assay relative to control	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
AID1661600	Binding affinity to H3 and H7 region of zebrafish VDR LBD assessed as stabilization of structural elements by measuring increase in protection at 10 fold excess compound concentration in presence of SRC1 NR2 coactivator peptide measured at 1 mins by HDX-M	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
AID1661606	Binding affinity to H5 region (290 to 297 residues) of zebrafish VDR LBD assessed as stabilization of structural elements by measuring increase in protection at 10 fold excess compound concentration in presence of SRC1 NR2 coactivator peptide measured at	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
AID216994	Binding of compound towards human Vitamin D3 receptor was determined in vitro; No data	2004	Journal of medicinal chemistry, Apr-08, Volume: 47, Issue:8	Crystal structures of the vitamin D nuclear receptor liganded with the vitamin D side chain analogues calcipotriol and seocalcitol, receptor agonists of clinical importance. Insights into a structural basis for the switching of calcipotriol to a receptor
AID1661602	Binding affinity to H6 to H7 region (322 to 344 residues) of zebrafish VDR LBD assessed as stabilization of structural elements by measuring increase in protection at 10 fold excess compound concentration in presence of SRC1 NR2 coactivator peptide measur	2020	Journal of medicinal chemistry, 09-10, Volume: 63, Issue:17	Structural Analysis of VDR Complex with ZK168281 Antagonist.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	4 (66.67)	29.6817
2010's	0 (0.00)	24.3611
2020's	2 (33.33)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	6 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
clotrimazole [no description available]	2.02	1	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
androstan-3-ol [no description available]	2.02	1	3-hydroxy steroid	androgen
calcitriol dihydroxy-vitamin D3: as a major in vitro metabolite of 1alpha,25-dihydroxyvitamin D3, produced in primary cultures of neonatal human keratinocytes	3.3	6	D3 vitamins; hydroxycalciol; triol	antineoplastic agent; antipsoriatic; bone density conservation agent; calcium channel agonist; calcium channel modulator; hormone; human metabolite; immunomodulator; metabolite; mouse metabolite; nutraceutical
seocalcitol seocalcitol: structure given in first source	2.02	1
calcipotriene [no description available]	2.02	1	cyclopropanes; hydroxy seco-steroid; seco-cholestane; secondary alcohol; triol	antipsoriatic; drug allergen
zk159222 ZK159222: a 25-carboxylic ester analog of 1alpha-25-dihydroxyvitamin D3; structure in first source	2.7	3	vitamin D
calcipotriene calcipotriene: a topical dermatologic for the treatment of moderate plaque psoriasis; structure in first source. calcipotriol hydrate : A hydrate that is the monohydrate form of calcipotriol. It is used in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients.	2.02	1	hydrate	antipsoriatic

Condition	Indicated	Relationship Strength	Studies	Trials
Milk-Alkali Syndrome [description not available]	0	2.25	1	0
Hypercalcemia Abnormally high level of calcium in the blood.	0	2.25	1	0

zk 168281

Description

Cross-References

Synonyms (14)

Drug Classes (1)

Protein Targets (2)

Activation Measurements

Biological Processes (28)

Molecular Functions (12)

Ceullar Components (6)

Bioassays (15)

Research

Studies (6)

Market Indicators

Research Demand Index: 12.79

Study Types

zk 168281

Description

Cross-References

Synonyms (14)

Drug Classes (1)

Protein Targets (2)

Activation Measurements

Biological Processes (28)

Molecular Functions (12)

Ceullar Components (6)

Bioassays (15)

Research

Studies (6)

Market Indicators

Research Demand Index: 12.79

Study Types

Related Drugs (7)

Related Conditions (2)