purmorphamine profile

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

purmorphamine : A member of the class of purines that is purine substituted at C-2 by a 1-naphthyloxy group, at C-4 by a 4-morpholinophenylamino group, and at N-9 by a cyclohexyl group. [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]

ID Source	ID
PubMed CID	5284329
CHEMBL ID	1221984
CHEBI ID	63053
SCHEMBL ID	1548273
MeSH ID	M0445467

Synonym
chebi:63053 ,
CHEMBL1221984 ,
HSCI1_000224
MOLMAP_000073
2-(1-napthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine
purmorphamine
2-(1-naphthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine
shh signaling antagonist vi
9-cyclohexyl-n-[4-(4-morpholinyl)phenyl]-2-(1-naphthalenyloxy)-9h-purin-6-amine
nsc747596
nsc-747596
9-cyclohexyl-n-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine
bdbm50324671
9-cyclohexyl-n-[4-(morpholin-4-yl)phenyl]-2-(naphthalen-1-yloxy)-9h-purin-6-amine
483367-10-8
9h-purin-6-amine, 9-cyclohexyl-n-(4-(4-morpholinyl)phenyl)-2-(1-naphthalenyloxy)-
HY-15108
CS-1135
FT-0674154
NCGC00344053-01
S3042
BRD-K73397362-001-01-7
smr004701397
MLS006010334
SCHEMBL1548273
c31h32n6o2
9-cyclohexyl-n-(4-morpholinophenyl)-2-(naphthalen-1-yloxy)-9h-purin-6-amine
unii-pb12m2f8ky
DTXSID20415293
purmorphamine [mi]
9-cyclohexyl-n-(4-(4-morpholinyl)phenyl)-2-(1-naphthalenyloxy)-9h-purin-6-amine
PB12M2F8KY ,
FYBHCRQFSFYWPY-UHFFFAOYSA-N
9-cyclohexyl-n-[4-(morpholinyl)phenyl]-2-(1-naphthalenyloxy)-9h-purin-6-amine
HB3412
9-cyclohexyl-n-[4-(4-morpholinyl)ph enyl]-2-(1-naphthalenyloxy)-9h-purin-6-amine
AKOS024458218
HMS3650O20
J-519503
EX-A348
HMS3651D16
mfcd09037557
NCGC00344053-09
SW219909-1
BCP03687
purmorphamine - cas 483367-10-8
SR-01000946316-1
sr-01000946316
Q15409344
AMY20087
SB19498
9-cyclohexyl-n-[4-(morpholin-4-yl)phenyl]-2-(naphthalen-1-yloxy)-9h-purin-6 -amine
CCG-269857
A871928
gtpl10356
AS-56474
F11453
purmorphamine (gmp)
HY-15108G
CS-0626102

Excerpt	Reference	Relevance
"Purmorphamine (PMA) is a small molecule that, according to some studies, possesses certain differentiation effects."	( Purmorphamine as a Shh Signaling Activator Small Molecule Promotes Motor Neuron Differentiation of Mesenchymal Stem Cells Cultured on Nanofibrous PCL Scaffold. Ai, J; Bahrami, N; Bayat, M; Ebrahimi-Barough, S; Khakbiz, M; Mohamadnia, A; Yazdankhah, M, 2017)	2.62
"Purmorphamine, which is a 2,6,9-trisubstituted purine compound, was discovered through cell-based high-throughput screening from a heterocycle combinatorial library. "	( A small molecule with osteogenesis-inducing activity in multipotent mesenchymal progenitor cells. Ding, Q; Ding, S; Gray, NS; Schultz, PG; Wu, X, 2002)	1.76
"Purmorphamine is a new molecule with osteogenesis-inducing activity in multipotent progenitor cells. "	( The effect of purmorphamine on osteoblast phenotype expression of human bone marrow mesenchymal cells cultured on titanium. Bellesini, LS; Beloti, MM; Rosa, AL, 2005)	2.13
"Purmorphamine is a novel small molecule with osteogenesis-inducing activity in multipotent mesenchymal progenitor cells, but there has been no evaluation of its effect on human cells to date. "	( Purmorphamine enhances osteogenic activity of human osteoblasts derived from bone marrow mesenchymal cells. Bellesini, LS; Beloti, MM; Rosa, AL, 2005)	3.21

Excerpt	Reference	Relevance
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51
" Preliminary preclinical studies revealed extended bioavailability and low toxicity of this compound."	( Discovery of small-molecule modulators of the secretin receptor: Purmorphamine as novel anti-hypertensive agent. Annapureddy, RR; Chow, BK; El-Nezami, H; Nawabjan, SA; Singh, K; Zhang, L, 2022)	0.96

Role	Description
osteogenesis regulator	Any compound that induces or regulates osteogenesis.
SMO receptor agonist	An agonist that enhances the action of smoothened (SMO) receptor.
[role 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]

Class	Description
purines	A class of imidazopyrimidines that consists of purine and its substituted derivatives.
morpholines	Any compound containing morpholine as part of its structure.
aromatic ether	Any ether in which the oxygen is attached to at least one aryl substituent.
secondary amino compound	A compound formally derived from ammonia by replacing two hydrogen atoms by organyl groups.
[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 (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
cytochrome P450 family 3 subfamily A polypeptide 4	Homo sapiens (human)	Potency	21.3174	0.0123	7.9835	43.2770	AID1645841
EWS/FLI fusion protein	Homo sapiens (human)	Potency	0.0019	0.0013	10.1577	42.8575	AID1259256
G	Vesicular stomatitis virus	Potency	4.7724	0.0123	8.9648	39.8107	AID1645842
Interferon beta	Homo sapiens (human)	Potency	4.7724	0.0033	9.1582	39.8107	AID1645842
HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)	Potency	4.7724	0.0123	8.9648	39.8107	AID1645842
Inositol hexakisphosphate kinase 1	Homo sapiens (human)	Potency	4.7724	0.0123	8.9648	39.8107	AID1645842
cytochrome P450 2C9, partial	Homo sapiens (human)	Potency	4.7724	0.0123	8.9648	39.8107	AID1645842
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Smoothened homolog	Homo sapiens (human)	IC50 (µMol)	1.5000	0.0004	0.1640	1.5000	AID502891
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Smoothened homolog	Mus musculus (house mouse)	EC50 (µMol)	0.8000	0.0020	0.1639	0.8000	AID1321064
Sonic hedgehog protein	Mus musculus (house mouse)	EC50 (µMol)	1.0000	0.0088	1.5951	4.0000	AID502884
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
interferon gamma precursor	Homo sapiens (human)	AC50	14.5550	0.1280	15.1730	38.6100	AID1259418; AID1259420
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell activation involved in immune response	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway	Interferon beta	Homo sapiens (human)
cell surface receptor signaling pathway via JAK-STAT	Interferon beta	Homo sapiens (human)
response to virus	Interferon beta	Homo sapiens (human)
positive regulation of autophagy	Interferon beta	Homo sapiens (human)
cytokine-mediated signaling pathway	Interferon beta	Homo sapiens (human)
natural killer cell activation	Interferon beta	Homo sapiens (human)
positive regulation of peptidyl-serine phosphorylation of STAT protein	Interferon beta	Homo sapiens (human)
cellular response to interferon-beta	Interferon beta	Homo sapiens (human)
B cell proliferation	Interferon beta	Homo sapiens (human)
negative regulation of viral genome replication	Interferon beta	Homo sapiens (human)
innate immune response	Interferon beta	Homo sapiens (human)
positive regulation of innate immune response	Interferon beta	Homo sapiens (human)
regulation of MHC class I biosynthetic process	Interferon beta	Homo sapiens (human)
negative regulation of T cell differentiation	Interferon beta	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Interferon beta	Homo sapiens (human)
defense response to virus	Interferon beta	Homo sapiens (human)
type I interferon-mediated signaling pathway	Interferon beta	Homo sapiens (human)
neuron cellular homeostasis	Interferon beta	Homo sapiens (human)
cellular response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
cellular response to virus	Interferon beta	Homo sapiens (human)
negative regulation of Lewy body formation	Interferon beta	Homo sapiens (human)
negative regulation of T-helper 2 cell cytokine production	Interferon beta	Homo sapiens (human)
positive regulation of apoptotic signaling pathway	Interferon beta	Homo sapiens (human)
response to exogenous dsRNA	Interferon beta	Homo sapiens (human)
B cell differentiation	Interferon beta	Homo sapiens (human)
natural killer cell activation involved in immune response	Interferon beta	Homo sapiens (human)
adaptive immune response	Interferon beta	Homo sapiens (human)
T cell activation involved in immune response	Interferon beta	Homo sapiens (human)
humoral immune response	Interferon beta	Homo sapiens (human)
positive regulation of T cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
adaptive immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class I via ER pathway, TAP-independent	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of T cell anergy	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
defense response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
detection of bacterium	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-12 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of interleukin-6 production	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protection from natural killer cell mediated cytotoxicity	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
innate immune response	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
regulation of dendritic cell differentiation	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
antigen processing and presentation of endogenous peptide antigen via MHC class Ib	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
inositol phosphate metabolic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
phosphatidylinositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
negative regulation of cold-induced thermogenesis	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol phosphate biosynthetic process	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
positive regulation of transcription by RNA polymerase II	Smoothened homolog	Homo sapiens (human)
negative regulation of transcription by RNA polymerase II	Smoothened homolog	Homo sapiens (human)
vasculogenesis	Smoothened homolog	Homo sapiens (human)
osteoblast differentiation	Smoothened homolog	Homo sapiens (human)
in utero embryonic development	Smoothened homolog	Homo sapiens (human)
cell fate specification	Smoothened homolog	Homo sapiens (human)
neural crest cell migration	Smoothened homolog	Homo sapiens (human)
negative regulation of protein phosphorylation	Smoothened homolog	Homo sapiens (human)
heart looping	Smoothened homolog	Homo sapiens (human)
positive regulation of neuroblast proliferation	Smoothened homolog	Homo sapiens (human)
positive regulation of mesenchymal cell proliferation	Smoothened homolog	Homo sapiens (human)
determination of left/right asymmetry in lateral mesoderm	Smoothened homolog	Homo sapiens (human)
type B pancreatic cell development	Smoothened homolog	Homo sapiens (human)
protein import into nucleus	Smoothened homolog	Homo sapiens (human)
apoptotic process	Smoothened homolog	Homo sapiens (human)
G protein-coupled receptor signaling pathway	Smoothened homolog	Homo sapiens (human)
smoothened signaling pathway	Smoothened homolog	Homo sapiens (human)
ventral midline determination	Smoothened homolog	Homo sapiens (human)
neuroblast proliferation	Smoothened homolog	Homo sapiens (human)
midgut development	Smoothened homolog	Homo sapiens (human)
anterior/posterior pattern specification	Smoothened homolog	Homo sapiens (human)
gene expression	Smoothened homolog	Homo sapiens (human)
positive regulation of gene expression	Smoothened homolog	Homo sapiens (human)
negative regulation of gene expression	Smoothened homolog	Homo sapiens (human)
spinal cord dorsal/ventral patterning	Smoothened homolog	Homo sapiens (human)
dentate gyrus development	Smoothened homolog	Homo sapiens (human)
cerebellar cortex morphogenesis	Smoothened homolog	Homo sapiens (human)
thalamus development	Smoothened homolog	Homo sapiens (human)
dorsal/ventral neural tube patterning	Smoothened homolog	Homo sapiens (human)
central nervous system neuron differentiation	Smoothened homolog	Homo sapiens (human)
cerebral cortex development	Smoothened homolog	Homo sapiens (human)
positive regulation of cell migration	Smoothened homolog	Homo sapiens (human)
negative regulation of epithelial cell differentiation	Smoothened homolog	Homo sapiens (human)
hair follicle morphogenesis	Smoothened homolog	Homo sapiens (human)
multicellular organism growth	Smoothened homolog	Homo sapiens (human)
positive regulation of multicellular organism growth	Smoothened homolog	Homo sapiens (human)
positive regulation of protein import into nucleus	Smoothened homolog	Homo sapiens (human)
odontogenesis of dentin-containing tooth	Smoothened homolog	Homo sapiens (human)
negative regulation of apoptotic process	Smoothened homolog	Homo sapiens (human)
negative regulation of DNA binding	Smoothened homolog	Homo sapiens (human)
positive regulation of smoothened signaling pathway	Smoothened homolog	Homo sapiens (human)
positive regulation of organ growth	Smoothened homolog	Homo sapiens (human)
astrocyte activation	Smoothened homolog	Homo sapiens (human)
skeletal muscle fiber development	Smoothened homolog	Homo sapiens (human)
smooth muscle tissue development	Smoothened homolog	Homo sapiens (human)
forebrain morphogenesis	Smoothened homolog	Homo sapiens (human)
homeostasis of number of cells within a tissue	Smoothened homolog	Homo sapiens (human)
epithelial cell proliferation	Smoothened homolog	Homo sapiens (human)
positive regulation of epithelial cell proliferation	Smoothened homolog	Homo sapiens (human)
protein stabilization	Smoothened homolog	Homo sapiens (human)
myoblast migration	Smoothened homolog	Homo sapiens (human)
negative regulation of hair follicle development	Smoothened homolog	Homo sapiens (human)
contact inhibition	Smoothened homolog	Homo sapiens (human)
atrial septum morphogenesis	Smoothened homolog	Homo sapiens (human)
mammary gland epithelial cell differentiation	Smoothened homolog	Homo sapiens (human)
epithelial-mesenchymal cell signaling	Smoothened homolog	Homo sapiens (human)
somite development	Smoothened homolog	Homo sapiens (human)
pancreas morphogenesis	Smoothened homolog	Homo sapiens (human)
left/right axis specification	Smoothened homolog	Homo sapiens (human)
cellular response to cholesterol	Smoothened homolog	Homo sapiens (human)
dopaminergic neuron differentiation	Smoothened homolog	Homo sapiens (human)
mesenchymal to epithelial transition involved in metanephric renal vesicle formation	Smoothened homolog	Homo sapiens (human)
positive regulation of branching involved in ureteric bud morphogenesis	Smoothened homolog	Homo sapiens (human)
regulation of somatic stem cell population maintenance	Smoothened homolog	Homo sapiens (human)
regulation of heart morphogenesis	Smoothened homolog	Homo sapiens (human)
pattern specification process	Smoothened homolog	Homo sapiens (human)
central nervous system development	Smoothened homolog	Homo sapiens (human)
commissural neuron axon guidance	Smoothened homolog	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
cytokine activity	Interferon beta	Homo sapiens (human)
cytokine receptor binding	Interferon beta	Homo sapiens (human)
type I interferon receptor binding	Interferon beta	Homo sapiens (human)
protein binding	Interferon beta	Homo sapiens (human)
chloramphenicol O-acetyltransferase activity	Interferon beta	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
signaling receptor binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
peptide antigen binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
TAP binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
protein-folding chaperone binding	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
inositol-1,3,4,5,6-pentakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol heptakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
protein binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
ATP binding	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 1-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol hexakisphosphate 3-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol 5-diphosphate pentakisphosphate 5-kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
inositol diphosphate tetrakisphosphate kinase activity	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cAMP-dependent protein kinase inhibitor activity	Smoothened homolog	Homo sapiens (human)
G protein-coupled receptor activity	Smoothened homolog	Homo sapiens (human)
patched binding	Smoothened homolog	Homo sapiens (human)
protein binding	Smoothened homolog	Homo sapiens (human)
oxysterol binding	Smoothened homolog	Homo sapiens (human)
protein kinase A catalytic subunit binding	Smoothened homolog	Homo sapiens (human)
protein sequestering activity	Smoothened homolog	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
extracellular space	Interferon beta	Homo sapiens (human)
extracellular region	Interferon beta	Homo sapiens (human)
Golgi membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
endoplasmic reticulum	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
Golgi apparatus	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
cell surface	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
ER to Golgi transport vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
secretory granule membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
phagocytic vesicle membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
early endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
recycling endosome membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular exosome	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
lumenal side of endoplasmic reticulum membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
MHC class I protein complex	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
extracellular space	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
external side of plasma membrane	HLA class I histocompatibility antigen, B alpha chain	Homo sapiens (human)
endocytic vesicle membrane	Smoothened homolog	Mus musculus (house mouse)
ciliary membrane	Smoothened homolog	Mus musculus (house mouse)
extracellular region	Sonic hedgehog protein	Mus musculus (house mouse)
nucleoplasm	Sonic hedgehog protein	Mus musculus (house mouse)
endoplasmic reticulum lumen	Sonic hedgehog protein	Mus musculus (house mouse)
plasma membrane	Sonic hedgehog protein	Mus musculus (house mouse)
fibrillar center	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytosol	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
nucleus	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
cytoplasm	Inositol hexakisphosphate kinase 1	Homo sapiens (human)
Golgi apparatus	Smoothened homolog	Homo sapiens (human)
caveola	Smoothened homolog	Homo sapiens (human)
late endosome	Smoothened homolog	Homo sapiens (human)
endoplasmic reticulum	Smoothened homolog	Homo sapiens (human)
endoplasmic reticulum-Golgi intermediate compartment	Smoothened homolog	Homo sapiens (human)
centriole	Smoothened homolog	Homo sapiens (human)
plasma membrane	Smoothened homolog	Homo sapiens (human)
cilium	Smoothened homolog	Homo sapiens (human)
endocytic vesicle membrane	Smoothened homolog	Homo sapiens (human)
intracellular membrane-bounded organelle	Smoothened homolog	Homo sapiens (human)
ciliary membrane	Smoothened homolog	Homo sapiens (human)
extracellular exosome	Smoothened homolog	Homo sapiens (human)
ciliary tip	Smoothened homolog	Homo sapiens (human)
9+0 non-motile cilium	Smoothened homolog	Homo sapiens (human)
cilium	Smoothened homolog	Homo sapiens (human)
dendrite	Smoothened homolog	Homo sapiens (human)
plasma membrane	Smoothened homolog	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Bioassays (45)

Assay ID	Title	Year	Journal	Article
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1347160	Primary screen NINDS Rhodamine qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347159	Primary screen GU Rhodamine qHTS for Zika virus inhibitors: Unlinked NS2B-NS3 protease assay	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1347093	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-MC cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347100	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for LAN-5 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347094	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-37 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347092	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for A673 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1745845	Primary qHTS for Inhibitors of ATXN expression
AID1347089	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for TC32 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1508630	Primary qHTS for small molecule stabilizers of the endoplasmic reticulum resident proteome: Secreted ER Calcium Modulated Protein (SERCaMP) assay	2021	Cell reports, 04-27, Volume: 35, Issue:4	A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome.
AID1347090	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for DAOY cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347096	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for U-2 OS cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347095	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB-EBc1 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347101	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for BT-12 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347099	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for NB1643 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347108	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh41 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347106	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for control Hh wild type fibroblast cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347105	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for MG 63 (6-TG R) cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347097	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Saos-2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347107	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh30 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347154	Primary screen GU AMC qHTS for Zika virus inhibitors	2020	Proceedings of the National Academy of Sciences of the United States of America, 12-08, Volume: 117, Issue:49	Therapeutic candidates for the Zika virus identified by a high-throughput screen for Zika protease inhibitors.
AID1347102	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for Rh18 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347104	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for RD cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347098	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SK-N-SH cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347091	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for SJ-GBM2 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID1347103	qHTS of pediatric cancer cell lines to identify multiple opportunities for drug repurposing: Primary screen for OHS-50 cells	2018	Oncotarget, Jan-12, Volume: 9, Issue:4	Quantitative high-throughput phenotypic screening of pediatric cancer cell lines identifies multiple opportunities for drug repurposing.
AID509545	Agonist activity at hedgehog receptor	2010	Bioorganic & medicinal chemistry, Sep-15, Volume: 18, Issue:18	Modulators of the hedgehog signaling pathway.
AID502890	Activation of Shh in smo-expressing MEF at 0.5 uM after 30 hrs by luciferase reporter assay	2006	Nature chemical biology, Jan, Volume: 2, Issue:1	Purmorphamine activates the Hedgehog pathway by targeting Smoothened.
AID502894	Ratio of EC50 for Shh in mouse Shh Light2 cells to EC50 for Shh in mouse Shh Light2 cells in presence of 100 nM 3-keto-N-aminoethyl-N'-aminocaproyldihydrocinnamoyl cyclopamine	2006	Nature chemical biology, Jan, Volume: 2, Issue:1	Purmorphamine activates the Hedgehog pathway by targeting Smoothened.
AID502889	Activation of Shh in smo gene-deficient MEF at 0.5 uM after 30 hrs by luciferase reporter assay	2006	Nature chemical biology, Jan, Volume: 2, Issue:1	Purmorphamine activates the Hedgehog pathway by targeting Smoothened.
AID502885	Activation of Shh in ptch1 gene-deficient MEF assessed as beta-galactosidase activity after 30 hrs by chemiluminescence assay in presence of 100 nM 3-keto-N-aminoethyl-N'-aminocaproyldihydrocinnamoyl cyclopamine	2006	Nature chemical biology, Jan, Volume: 2, Issue:1	Purmorphamine activates the Hedgehog pathway by targeting Smoothened.
AID502884	Activation of Shh in mouse Shh Light2 cells after 30 hrs by luciferase reporter gene assay	2006	Nature chemical biology, Jan, Volume: 2, Issue:1	Purmorphamine activates the Hedgehog pathway by targeting Smoothened.
AID1321065	Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast at 10 uM incubated for 6 days by alkaline phosphatase assay relative to GSA-10	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Design, synthesis and biological characterization of a new class of osteogenic (1H)-quinolone derivatives.
AID502891	Inhibition of BODIPY-cyclopamine binding to Smo expressed in HEK293T cells after 1 hr by fluorescence microscopy	2006	Nature chemical biology, Jan, Volume: 2, Issue:1	Purmorphamine activates the Hedgehog pathway by targeting Smoothened.
AID512617	Induction of osteogenesis in mouse C3H10T1/2 cells assessed as induction of osteoblast specific marker alkaline phosphatase by immunofluorescence method	2005	Nature chemical biology, Jul, Volume: 1, Issue:2	Diversity-oriented synthesis: exploring the intersections between chemistry and biology.
AID502892	Inhibition of BODIPY-cyclopamine binding to Smo N-terminal cysteine domain expressed in HEK293T cells at 5 uM after 4 hrs by fluorescence microscopy	2006	Nature chemical biology, Jan, Volume: 2, Issue:1	Purmorphamine activates the Hedgehog pathway by targeting Smoothened.
AID502886	Activation of Shh in mouse Shh Light2 cells assessed as beta-galactosidase activity after 30 hrs by luciferase reporter gene assay in presence of 100 nM 3-keto-N-aminoethyl-N'-aminocaproyldihydrocinnamoyl cyclopamine	2006	Nature chemical biology, Jan, Volume: 2, Issue:1	Purmorphamine activates the Hedgehog pathway by targeting Smoothened.
AID502893	Inhibition of BODIPY-cyclopamine binding to Smo C-terminal cytoplasmic domain expressed in HEK293T cells at 5 uM after 4 hrs by fluorescence microscopy	2006	Nature chemical biology, Jan, Volume: 2, Issue:1	Purmorphamine activates the Hedgehog pathway by targeting Smoothened.
AID1321064	Activity at Smo in mouse C3H10T1/2 cells assessed as induction of cell differentiation into osteoblast incubated for 6 days by alkaline phosphatase assay	2016	European journal of medicinal chemistry, Oct-04, Volume: 121	Design, synthesis and biological characterization of a new class of osteogenic (1H)-quinolone derivatives.
AID1347411	qHTS to identify inhibitors of the type 1 interferon - major histocompatibility complex class I in skeletal muscle: primary screen against the NCATS Mechanism Interrogation Plate v5.0 (MIPE) Libary	2020	ACS chemical biology, 07-17, Volume: 15, Issue:7	High-Throughput Screening to Identify Inhibitors of the Type I Interferon-Major Histocompatibility Complex Class I Pathway in Skeletal Muscle.
[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	15 (17.05)	29.6817
2010's	62 (70.45)	24.3611
2020's	11 (12.50)	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	3 (3.37%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	86 (96.63%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
lactic acid Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.	2.1	1	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
valproic acid Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.	2.06	1	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
itraconazole [no description available]	3.15	1	piperazines
metformin Metformin: A biguanide hypoglycemic agent used in the treatment of non-insulin-dependent diabetes mellitus not responding to dietary modification. Metformin improves glycemic control by improving insulin sensitivity and decreasing intestinal absorption of glucose. (From Martindale, The Extra Pharmacopoeia, 30th ed, p289). metformin : A member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1.	2.15	1	guanidines	environmental contaminant; geroprotector; hypoglycemic agent; xenobiotic
bromodeoxyuridine Bromodeoxyuridine: A nucleoside that substitutes for thymidine in DNA and thus acts as an antimetabolite. It causes breaks in chromosomes and has been proposed as an antiviral and antineoplastic agent. It has been given orphan drug status for use in the treatment of primary brain tumors.	2.31	1	pyrimidine 2'-deoxyribonucleoside	antimetabolite; antineoplastic agent
veratramine veratramine: structure. veratramine : A piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions.	3.15	1	piperidine alkaloid
thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.	4.3	5	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
quinazolines Quinazolines: A group of aromatic heterocyclic compounds that contain a bicyclic structure with two fused six-membered aromatic rings, a benzene ring and a pyrimidine ring.. quinazoline : A mancude organic heterobicyclic parent that is naphthalene in which the carbon atoms at positions 1 and 3 have been replaced by nitrogen atoms.. quinazolines : Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives.	2.08	1	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinazolines
jervine jervine: teratogen from Veratrum grandiflorum; RN given refers to parent cpd(3beta,23beta)-isomer; structure	3.15	1	piperidines
durapatite Durapatite: The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.. hydroxylapatite : A phosphate mineral with the formula Ca5(PO4)3(OH).	2.15	1
amiloride Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705). amiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid.	2.15	1	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
fluorescein-5-isothiocyanate Fluorescein-5-isothiocyanate: Fluorescent probe capable of being conjugated to tissue and proteins. It is used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.. fluorescein 5-isothiocyanate : The 5-isomer of fluorescein isothiocyanate. Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.	2.17	1	fluorescein isothiocyanate
n-methylaspartate N-Methylaspartate: An amino acid that, as the D-isomer, is the defining agonist for the NMDA receptor subtype of glutamate receptors (RECEPTORS, NMDA).. N-methyl-D-aspartic acid : An aspartic acid derivative having an N-methyl substituent and D-configuration.	2.13	1	amino dicarboxylic acid; D-alpha-amino acid; D-aspartic acid derivative; secondary amino compound	neurotransmitter agent
titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.	7.77	3	titanium group element atom
tricalcium phosphate tricalcium phosphate: a form of tricalcium phosphate used as bioceramic bone replacement material; see also records for alpha-tricalcium phosphate, beta-tricalcium phosphate, calcium phosphate; apatitic tricalcium phosphate Ca9(HPO4)(PO4)5(OH) is the calcium orthophosphate leading to beta tricalcium phosphate Ca3(PO4)2 (b-TCP). calcium phosphate : A calcium salt composed of calcium and phosphate/diphosphate ions; present in milk and used for the mineralisation of calcified tissues.	2.78	3	calcium phosphate
colforsin Colforsin: Potent activator of the adenylate cyclase system and the biosynthesis of cyclic AMP. From the plant COLEUS FORSKOHLII. Has antihypertensive, positive inotropic, platelet aggregation inhibitory, and smooth muscle relaxant activities; also lowers intraocular pressure and promotes release of hormones from the pituitary gland.	2.76	3	acetate ester; cyclic ketone; labdane diterpenoid; organic heterotricyclic compound; tertiary alpha-hydroxy ketone; triol	adenylate cyclase agonist; anti-HIV agent; antihypertensive agent; plant metabolite; platelet aggregation inhibitor; protein kinase A agonist
25-hydroxycholesterol [no description available]	3.58	2	25-hydroxy steroid; oxysterol	human metabolite
tomatidine tomatidine: RN given refers to (3beta,5alpha,22beta,25S)-isomer; structure. tomatidine : A 3beta-hydroxy steroid resulting from the substitution of the 3beta-hydrogen of tomatidane by a hydroxy group.	2.05	1	3beta-hydroxy steroid; azaspiro compound; oxaspiro compound
(20s)-20-hydroxycholesterol 20-hydroxycholesterol: RN given refers to (20S)-isomer. 20-hydroxycholesterol : An oxysterol that is cholesterol substituted by a hydroxy group at position 20.	3.15	1	20-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol	human metabolite; mouse metabolite
24-hydroxycholesterol (24S)-24-hydroxycholesterol : A 24-hydroxycholesterol that has S configuration at position 24. It is the major metabolic breakdown product of cholesterol in the brain.	3.15	1	24-hydroxycholesterol	biomarker; human blood serum metabolite; mouse metabolite
cyc 202 seliciclib : 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.	2.15	1	2,6-diaminopurines	antiviral drug; EC 2.7.11.22 (cyclin-dependent kinase) inhibitor
22s-hydroxycholesterol (22S)-22-hydroxycholesterol : An oxysterol that is the 22S-hydroxy derivative of cholesterol.	3.15	1	22-hydroxy steroid; 3beta-hydroxy-Delta(5)-steroid; oxysterol
gant58 GANT58: inhibits hedgehog signalling; structure in first source	3.15	1	pyridines
gant 61 GANT 61: a sonic hedgehog pathway inhibitor and Gli inhibitor; structure in first source. GANT61 : An aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor.	3.62	2	aminal; dialkylarylamine; pyridines; substituted aniline; tertiary amino compound	antineoplastic agent; apoptosis inducer; glioma-associated oncogene inhibitor; Hedgehog signaling pathway inhibitor
cyclopamine [no description available]	5.2	14	piperidines	glioma-associated oncogene inhibitor
tretinoin Tretinoin: An important regulator of GENE EXPRESSION during growth and development, and in NEOPLASMS. Tretinoin, also known as retinoic acid and derived from maternal VITAMIN A, is essential for normal GROWTH; and EMBRYONIC DEVELOPMENT. An excess of tretinoin can be teratogenic. It is used in the treatment of PSORIASIS; ACNE VULGARIS; and several other SKIN DISEASES. It has also been approved for use in promyelocytic leukemia (LEUKEMIA, PROMYELOCYTIC, ACUTE).. retinoic acid : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).. all-trans-retinoic acid : A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry.	3.87	11	retinoic acid; vitamin A	anti-inflammatory agent; antineoplastic agent; antioxidant; AP-1 antagonist; human metabolite; keratolytic drug; retinoic acid receptor agonist; retinoid X receptor agonist; signalling molecule
gw 3965 GW 3965: a liver X receptor ligand	2.05	1	diarylmethane
t0901317 T0901317: an LXRalpha and LXRbeta agonist	2.05	1
h 89 N-(2-(4-bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide: structure given in first source. N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine. It is a protein kinase A inhibitor.. (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide : A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.	2.05	1	N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
tamoxifen [no description available]	2.1	1	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1h-imidazol-2-yl)benzamide 4-(5-benzo(1,3)dioxol-5-yl-4-pyridin-2-yl-1H-imidazol-2-yl)benzamide: a TGF-beta type I receptor kinase activity inhibitor	2.06	1	benzamides; benzodioxoles; imidazoles; pyridines	EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
genistein [no description available]	2.15	1	7-hydroxyisoflavones	antineoplastic agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; geroprotector; human urinary metabolite; phytoestrogen; plant metabolite; tyrosine kinase inhibitor
sag compound SAG1.3: small molecule smoothened agonist and a partial agonist of FZD6. 3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide : A member of the class of 1-benzothiophenes that is 3-chloro-1-benzothiophene-2-carboxamide in which the amide nitrogen is substituted by trans-4-(methylamino)cyclohexyl and 3-(pyridin-4-yl)benzyl groups. A smoothened (Smo) receptor agonist that antagonizes cyclopamine action at the Smo receptor. Activates the Hedgehog signaling pathway in a Patched independent manner.	4.1	4
sirolimus Sirolimus: A macrolide compound obtained from Streptomyces hygroscopicus that acts by selectively blocking the transcriptional activation of cytokines thereby inhibiting cytokine production. It is bioactive only when bound to IMMUNOPHILINS. Sirolimus is a potent immunosuppressant and possesses both antifungal and antineoplastic properties.. sirolimus : A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.	7.08	1	antibiotic antifungal drug; cyclic acetal; cyclic ketone; ether; macrolide lactam; organic heterotricyclic compound; secondary alcohol	antibacterial drug; anticoronaviral agent; antineoplastic agent; bacterial metabolite; geroprotector; immunosuppressive agent; mTOR inhibitor
n-(n-(3,5-difluorophenacetyl)alanyl)phenylglycine tert-butyl ester DAPT : A dipeptide consisting of alanylphenylglycine derivatised as a 3,5-difluorophenylacetamide at the amino terminal and a tert-butyl ester at the carboxy terminal. A gamma-secretase inhibitor.	2.1	1	carboxylic ester; difluorobenzene; dipeptide; tert-butyl ester	EC 3.4.23.46 (memapsin 2) inhibitor
fexaramine fexaramine: structure in first source	3.12	1	biphenyls
pregna-4,17-diene-3,16-dione pregna-4,17-diene-3,16-dione: steroid from guggulu extract; RN & N1 from C1 Form index; RN given refers to cpd without isomeric designation; structure in first source; antagonist of farnesoid X receptor	2.21	1	3-hydroxy steroid	androgen
trisialoganglioside gt1 [no description available]	2.5	2
tubacin tubacin: inhibits histone deacetylase 6; structure in first source	3.12	1	1,3-oxazoles
tws 119 [no description available]	3.12	1	pyrroles
chir 99021 Chir 99021: structure in first source. CHIR 99021 : A member of the class of aminopyrimidines that is 2-aminopyrimidine substituted at positions N2, 5 and 6 by (5-cyanopyridin-2-yl)ethyl, 4-methylimidazol-2-yl and 2,4-dichlorophenyl groups respectively.	2.48	2	aminopyridine; aminopyrimidine; cyanopyridine; diamine; dichlorobenzene; imidazoles; secondary amino compound	EC 2.7.11.26 (tau-protein kinase) inhibitor
cardiogenol c cardiogenol C: structure in first source	3.12	1	methoxybenzenes; substituted aniline
bucladesine Bucladesine: A cyclic nucleotide derivative that mimics the action of endogenous CYCLIC AMP and is capable of permeating the cell membrane. It has vasodilator properties and is used as a cardiac stimulant. (From Merck Index, 11th ed). bucladesine : A 3',5'-cyclic purine nucleotide that is the 2'-butanoate ester and 6-N-butanoyl derivative of 3',5'-cyclic AMP.	2.06	1	3',5'-cyclic purine nucleotide
gdc 0449 HhAntag691: inhibits the hedgehog pathway and ABC transporters; has antineoplastic activity	3.55	2	benzamides; monochlorobenzenes; pyridines; sulfone	antineoplastic agent; Hedgehog signaling pathway inhibitor; SMO receptor antagonist; teratogenic agent
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene [no description available]	2.25	1	BODIPY compound
robotnikinin robotnikinin: binds sonic hedgehog protein to block its signaling pathway; structure in first source	3.15	1
physalin f physalin F: has immunosuppressive activity; from Physalis angulata L; structure given in first source. physalin F : A physalin with antimalarial and antitumour activities isolated from Physalis angulata.	3.15	1	enone; epoxy steroid; lactone; physalin	antileishmanial agent; antimalarial; antineoplastic agent; apoptosis inducer; immunosuppressive agent
bms-833923 BMS-833923: an Smo inhibitor	2.08	1
cyclin d1 Cyclin D1: Protein encoded by the bcl-1 gene which plays a critical role in regulating the cell cycle. Overexpression of cyclin D1 is the result of bcl-1 rearrangement, a t(11;14) translocation, and is implicated in various neoplasms.	2.51	2
tomatine Tomatine: An alkaloid that occurs in the extract of leaves of wild tomato plants. It has been found to inhibit the growth of various fungi and bacteria. It is used as a precipitating agent for steroids. (From The Merck Index, 11th ed). tomatine : A steroid alkaloid that is tomatidine in which the hydroxy group at position 3 is linked to lycotetraose, a tetrasaccharide composed of two units of D-glucose, one unit of D-xylose, and one unit of D-galactose.	2.05	1
phenylamil phenylamil: irreversible inhibitor of sodium channels in the toad urinary bladder	2.15	1	guanidines; pyrazines

Condition	Relationship Strength	Studies
Benign Neoplasms [description not available]	2.97	1
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	2.97	1
Congenital Zika Syndrome [description not available]	2.25	1
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	3.08	4
Zika Virus Infection A viral disease transmitted by the bite of AEDES mosquitoes infected with ZIKA VIRUS. Its mild DENGUE-like symptoms include fever, rash, headaches and ARTHRALGIA. The viral infection during pregnancy, in rare cases, is associated with congenital brain and ocular abnormalities, called Congenital Zika Syndrome, including MICROCEPHALY and may also lead to GUILLAIN-BARRE SYNDROME.	2.25	1
Osteolysis Dissolution of bone that particularly involves the removal or loss of calcium.	2.25	1
Colorectal Cancer [description not available]	2.31	1
Colorectal Neoplasms Tumors or cancer of the COLON or the RECTUM or both. Risk factors for colorectal cancer include chronic ULCERATIVE COLITIS; FAMILIAL POLYPOSIS COLI; exposure to ASBESTOS; and irradiation of the CERVIX UTERI.	2.31	1
Cell Transformation, Neoplastic Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill.	2.79	3
Hepatocellular Carcinoma [description not available]	2.15	1
Cancer of Liver [description not available]	2.15	1
Cancer of Lung [description not available]	2.15	1
Carcinoma, Hepatocellular A primary malignant neoplasm of epithelial liver cells. It ranges from a well-differentiated tumor with EPITHELIAL CELLS indistinguishable from normal HEPATOCYTES to a poorly differentiated neoplasm. The cells may be uniform or markedly pleomorphic, or form GIANT CELLS. Several classification schemes have been suggested.	2.15	1
Liver Neoplasms Tumors or cancer of the LIVER.	2.15	1
Lung Neoplasms Tumors or cancer of the LUNG.	2.15	1
Innate Inflammatory Response [description not available]	2.52	2
Idiopathic Parkinson Disease [description not available]	2.15	1
Inflammation A pathological process characterized by injury or destruction of tissues caused by a variety of cytologic and chemical reactions. It is usually manifested by typical signs of pain, heat, redness, swelling, and loss of function.	2.52	2
Parkinson Disease A progressive, degenerative neurologic disease characterized by a TREMOR that is maximal at rest, retropulsion (i.e. a tendency to fall backwards), rigidity, stooped posture, slowness of voluntary movements, and a masklike facial expression. Pathologic features include loss of melanin containing neurons in the substantia nigra and other pigmented nuclei of the brainstem. LEWY BODIES are present in the substantia nigra and locus coeruleus but may also be found in a related condition (LEWY BODY DISEASE, DIFFUSE) characterized by dementia in combination with varying degrees of parkinsonism. (Adams et al., Principles of Neurology, 6th ed, p1059, pp1067-75)	2.15	1
Cystic Kidney Diseases [description not available]	2.15	1
Abnormalities, Multiple Congenital abnormalities that affect more than one organ or body structure.	2.15	1
Eye Abnormalities Congenital absence of or defects in structures of the eye; may also be hereditary.	2.15	1
Chronic Kidney Failure [description not available]	2.15	1
Kidney, Polycystic [description not available]	2.15	1
Ciliopathies Genetic disorders caused by defects in genes related to the primary CILIUM; BASAL BODY; or CENTROSOME. Primary features may include obesity, SKELETAL DYSPLASIA; POLYDACTYLY and malformations that primarily involve the liver, eye or kidneys.	2.15	1
Kidney Failure, Chronic The end-stage of CHRONIC RENAL INSUFFICIENCY. It is characterized by the severe irreversible kidney damage (as measured by the level of PROTEINURIA) and the reduction in GLOMERULAR FILTRATION RATE to less than 15 ml per min (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002). These patients generally require HEMODIALYSIS or KIDNEY TRANSPLANTATION.	2.15	1
Polycystic Kidney Diseases Hereditary diseases that are characterized by the progressive expansion of a large number of tightly packed CYSTS within the KIDNEYS. They include diseases with autosomal dominant and autosomal recessive inheritance.	2.15	1
Kidney Diseases, Cystic A heterogeneous group of hereditary and acquired disorders in which the KIDNEY contains one or more CYSTS unilaterally or bilaterally (KIDNEY, CYSTIC).	2.15	1
Cardiovascular Stroke [description not available]	2.17	1
Injury, Myocardial Reperfusion [description not available]	2.58	2
Myocardial Infarction NECROSIS of the MYOCARDIUM caused by an obstruction of the blood supply to the heart (CORONARY CIRCULATION).	2.17	1
Brain Inflammation [description not available]	2.17	1
Encephalitis Inflammation of the BRAIN due to infection, autoimmune processes, toxins, and other conditions. Viral infections (see ENCEPHALITIS, VIRAL) are a relatively frequent cause of this condition.	2.17	1
Anemia, Cooley's [description not available]	2.17	1
beta-Thalassemia A disorder characterized by reduced synthesis of the beta chains of hemoglobin. There is retardation of hemoglobin A synthesis in the heterozygous form (thalassemia minor), which is asymptomatic, while in the homozygous form (thalassemia major, Cooley's anemia, Mediterranean anemia, erythroblastic anemia), which can result in severe complications and even death, hemoglobin A synthesis is absent.	2.17	1
Age-Related Osteoporosis [description not available]	2.21	1
Osteoporosis Reduction of bone mass without alteration in the composition of bone, leading to fractures. Primary osteoporosis can be of two major types: postmenopausal osteoporosis (OSTEOPOROSIS, POSTMENOPAUSAL) and age-related or senile osteoporosis.	2.21	1
Cancer of Prostate [description not available]	2.08	1
Prostatic Neoplasms Tumors or cancer of the PROSTATE.	2.08	1
Injuries, Spinal Cord [description not available]	2.1	1
Spinal Cord Injuries Penetrating and non-penetrating injuries to the spinal cord resulting from traumatic external forces (e.g., WOUNDS, GUNSHOT; WHIPLASH INJURIES; etc.).	2.1	1
Apoplexy [description not available]	2.1	1
Cerebral Ischemia [description not available]	2.1	1
Brain Ischemia Localized reduction of blood flow to brain tissue due to arterial obstruction or systemic hypoperfusion. This frequently occurs in conjunction with brain hypoxia (HYPOXIA, BRAIN). Prolonged ischemia is associated with BRAIN INFARCTION.	2.1	1
Stroke A group of pathological conditions characterized by sudden, non-convulsive loss of neurological function due to BRAIN ISCHEMIA or INTRACRANIAL HEMORRHAGES. Stroke is classified by the type of tissue NECROSIS, such as the anatomic location, vasculature involved, etiology, age of the affected individual, and hemorrhagic vs. non-hemorrhagic nature. (From Adams et al., Principles of Neurology, 6th ed, pp777-810)	2.1	1
Adenoma, Prostatic [description not available]	2.1	1
Prostatic Hyperplasia Increase in constituent cells in the PROSTATE, leading to enlargement of the organ (hypertrophy) and adverse impact on the lower urinary tract function. This can be caused by increased rate of cell proliferation, reduced rate of cell death, or both.	2.1	1
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	2.13	1
Benign Cerebellar Neoplasms [description not available]	2.05	1
Arachnoidal Cerebellar Sarcoma, Circumscribed [description not available]	2.05	1
Medulloblastoma A malignant neoplasm that may be classified either as a glioma or as a primitive neuroectodermal tumor of childhood (see NEUROECTODERMAL TUMOR, PRIMITIVE). The tumor occurs most frequently in the first decade of life with the most typical location being the cerebellar vermis. Histologic features include a high degree of cellularity, frequent mitotic figures, and a tendency for the cells to organize into sheets or form rosettes. Medulloblastoma have a high propensity to spread throughout the craniospinal intradural axis. (From DeVita et al., Cancer: Principles and Practice of Oncology, 5th ed, pp2060-1)	2.05	1
Akinetic-Rigid Variant of Huntington Disease [description not available]	2.06	1
Huntington Disease A familial disorder inherited as an autosomal dominant trait and characterized by the onset of progressive CHOREA and DEMENTIA in the fourth or fifth decade of life. Common initial manifestations include paranoia; poor impulse control; DEPRESSION; HALLUCINATIONS; and DELUSIONS. Eventually intellectual impairment; loss of fine motor control; ATHETOSIS; and diffuse chorea involving axial and limb musculature develops, leading to a vegetative state within 10-15 years of disease onset. The juvenile variant has a more fulminant course including SEIZURES; ATAXIA; dementia; and chorea. (From Adams et al., Principles of Neurology, 6th ed, pp1060-4)	2.06	1
Carcinoma, Basal Cell, Pigmented [description not available]	2.07	1
Cancer of Skin [description not available]	2.07	1
Carcinoma, Basal Cell A malignant skin neoplasm that seldom metastasizes but has potentialities for local invasion and destruction. Clinically it is divided into types: nodular, cicatricial, morphaic, and erythematoid (pagetoid). They develop on hair-bearing skin, most commonly on sun-exposed areas. Approximately 85% are found on the head and neck area and the remaining 15% on the trunk and limbs. (From DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1471)	2.07	1
Skin Neoplasms Tumors or cancer of the SKIN.	2.07	1
Hyperdactyly [description not available]	2.04	1

purmorphamine

Description

Cross-References

Synonyms (60)

Research Excerpts

Overview

Bioavailability

Roles (2)

Drug Classes (4)

Protein Targets (11)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (112)

Molecular Functions (24)

Ceullar Components (34)

Bioassays (45)

Research

Studies (88)

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Research Demand Index: 40.66

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purmorphamine

Description

Cross-References

Synonyms (60)

Research Excerpts

Overview

Bioavailability

Roles (2)

Drug Classes (4)

Protein Targets (11)

Potency Measurements

Inhibition Measurements

Activation Measurements

Other Measurements

Biological Processes (112)

Molecular Functions (24)

Ceullar Components (34)

Bioassays (45)

Research

Studies (88)

Market Indicators

Research Demand Index: 40.66

Study Types

Related Drugs (51)

Related Conditions (58)