Compounds > xl 888
Page last updated: 2024-11-13

xl 888

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

XL 888: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

Cross-References

ID SourceID
PubMed CID60147023
CHEMBL ID4297451
SCHEMBL ID2425584
MeSH IDM0558762

Synonyms (24)

Synonym
5-[(2r)-butan-2-ylamino]-n-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methylbenzene-1,4-dicarboxamide
99B ,
1149705-71-4
xl-888
7m346920ev ,
5-((r)-sec-butylamino)-n1-((1r,3s,5s)-8-(5-(cyclopropanecarbonyl)pyridin-2-yl)-8-azabicyclo(3.2.1)octan-3-yl)-2-methylterephthalamide
unii-7m346920ev
exel-4888
1,4-benzenedicarboxamide, n1-((3-endo)-8-(5-(cyclopropylcarbonyl)-2-pyridinyl)-8-azabicyclo(3.2.1)oct-3-yl)-2-methyl-5-(((1r)-1-methylpropyl)amino)-
xl888
xl 888
4AWO
SCHEMBL2425584
1,4-benzenedicarboxamide, n1-[(3-endo)-8-[5-(cyclopropylcarbonyl)-2-pyridinyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-methyl-5-[[(1r)-1-methylpropyl]amino]-
DB12981
n-{(3-endo)-8-[5-(cyclopropylcarbonyl)pyridin-2-yl]-8-azabicyclo[3.2.1]oct-3-yl}-2-methyl-5-{[(1r)-1-methylpropyl]amino}benzene-1,4-dicarboxamide
AS-75250
5-{[(2r)-butan-2-yl]amino}-n1-[(1r,3s,5s)-8-(5-cyclopropanecarbonylpyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methylbenzene-1,4-dicarboxamide
5-(((r)-sec-butyl)amino)-n1-((3-endo)-8-(5-(cyclopropanecarbonyl)pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methylterephthalamide
Q27268551
CHEMBL4297451
AKOS037647910
AC-35472
DTXSID101025690

Research Excerpts

Dosage Studied

ExcerptRelevanceReference
" Furthermore, efficacy experiments performed in a NCI-N87 mouse xenograft model demonstrated tumor regression in some dosing regimens."( Discovery of XL888: a novel tropane-derived small molecule inhibitor of HSP90.
Aay, N; Anand, NK; Arcalas, A; Baik, T; Blazey, CM; Bowles, OJ; Buhr, CA; Bussenius, J; Costanzo, S; Curtis, JK; DeFina, SC; Dubenko, L; Heuer, TS; Huang, P; Jaeger, C; Joshi, A; Kennedy, AR; Kim, AI; Lara, K; Lee, J; Li, J; Lougheed, JC; Ma, S; Malek, S; Manalo, JC; Martini, JF; McGrath, G; Nicoll, M; Nuss, JM; Pack, M; Peto, CJ; Rice, KD; Tsang, TH; Wang, L; Womble, SW; Yakes, M; Zhang, W, 2012)		0.38
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Protein Targets (3)

Inhibition Measurements

ProteinTaxonomyMeasurementAverageMin (ref.)Avg (ref.)Max (ref.)Bioassay(s)
Chain A, Heat Shock Protein Hsp 90-alphaHomo sapiens (human)IC50 (µMol)0.02400.02400.02400.0240AID977608
Chain A, Heat Shock Protein Hsp 90-alphaHomo sapiens (human)IC50 (µMol)0.02400.02400.02400.0240AID977608
Chain A, Heat Shock Protein Hsp 90-alphaHomo sapiens (human)IC50 (µMol)0.02400.02400.02400.0240AID977608
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Bioassays (1)

Assay IDTitleYearJournalArticle
AID977608Experimentally measured binding affinity data (IC50) for protein-ligand complexes derived from PDB2012Bioorganic & medicinal chemistry letters, Sep-01, Volume: 22, Issue:17
Discovery of XL888: a novel tropane-derived small molecule inhibitor of HSP90.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Research

Studies (10)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's0 (0.00)29.6817
2010's8 (80.00)24.3611
2020's2 (20.00)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 25.53

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index25.53 (24.57)
Research Supply Index2.40 (2.92)
Research Growth Index4.59 (4.65)
Search Engine Demand Index26.67 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (25.53)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other10 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin
17-(dimethylaminoethylamino)-17-demethoxygeldanamycin: structure in first source. alvespimycin : A 19-membered macrocyle that is geldanamycin in which the methoxy group attached to the benzoquinone moiety has been replaced by a 2-(N,N-dimethylamino)ethylamino group.		2.07101,4-benzoquinones;
ansamycin;
carbamate ester;
secondary amino compound;
tertiary amino compound		Hsp90 inhibitor
tanespimycin
CP 127374: analog of herbimycin A		2.06101,4-benzoquinones;
ansamycin;
carbamate ester;
organic heterobicyclic compound;
secondary amino compound		antineoplastic agent;
apoptosis inducer;
Hsp90 inhibitor
azd 6244
AZD 6244: a MEK inhibitor		2.110benzimidazoles;
bromobenzenes;
hydroxamic acid ester;
monochlorobenzenes;
organofluorine compound;
secondary amino compound		anticoronaviral agent;
antineoplastic agent;
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor
crenolanib
[no description available]		2.110aminopiperidine;
aromatic ether;
benzimidazoles;
oxetanes;
quinolines;
tertiary amino compound		angiogenesis inhibitor;
antineoplastic agent;
apoptosis inducer;
EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor
plx4032
[no description available]		2.7830aromatic ketone;
difluorobenzene;
monochlorobenzenes;
pyrrolopyridine;
sulfonamide		antineoplastic agent;
B-Raf inhibitor
piperidines
Piperidines: A family of hexahydropyridines.		2.110
dabrafenib
[no description available]		2.17101,3-thiazoles;
aminopyrimidine;
organofluorine compound;
sulfonamide		anticoronaviral agent;
antineoplastic agent;
B-Raf inhibitor
dinaciclib
[no description available]		2.1710pyrazolopyrimidine
ConditionIndicatedRelationship StrengthStudiesTrials
Benign Neoplasms
[description not available]		02.0710
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.		02.0710
Cancer of Liver
[description not available]		02.8220
Liver Neoplasms
Tumors or cancer of the LIVER.		02.8220
Hepatocellular Carcinoma
[description not available]		02.3110
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.		02.3110
Malignant Melanoma
[description not available]		03.3560
Melanoma
A malignant neoplasm derived from cells that are capable of forming melanin, which may occur in the skin of any part of the body, in the eye, or, rarely, in the mucous membranes of the genitalia, anus, oral cavity, or other sites. It occurs mostly in adults and may originate de novo or from a pigmented nevus or malignant lentigo. Melanomas frequently metastasize widely, and the regional lymph nodes, liver, lungs, and brain are likely to be involved. The incidence of malignant skin melanomas is rising rapidly in all parts of the world. (Stedman, 25th ed; from Rook et al., Textbook of Dermatology, 4th ed, p2445)		03.3560
Cancer of Skin
[description not available]		02.1110
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)		02.1110
Skin Neoplasms
Tumors or cancer of the SKIN.		02.1110