General
Preferred name
TANESPIMYCIN
Synonyms
17-AAG ()
CP 127374 ()
NSC 330507 ()
KOS 953 ()
17-AAG (Tanespimycin) ()
CP127374, NSC-330507, KOS 953 ()
Tanespimycin (17-AAG) ()
KOS-953 ()
Tanespimicina ()
CNF1010 ()
NSC-330507 ()
CNF-1010 ()
BMS-722782 ()
Tanespimycine ()
17aag ()
P&D ID
PD003314
CAS
75747-14-7
106-95-6
Tags
available
drug candidate
nuisance
obsolete probe
Drug indication
Breast cancer
prostate adenocarcinoma
Multiple myeloma
Drug Status
investigational
Max Phase
3.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Tanespimycin (17-AAG) is a potent HSP90 inhibitor with an IC50 of 5 nM, having a 100-fold higher binding affinity for tumour cell derived HSP90 than normal cell derived HSP90[1][5]. Tanespimycin depletes cellular STK38/NDR1 and reduces STK38 kinase activity. Tanespimycin also downregulates the stk38 gene expression[3].
PRICE 63
DESCRIPTION inhibitor of HSP90 (Informer Set)
DESCRIPTION Tanespimycin (KOS 953) (17-AAG) is an inhibitor of Hsp90 that selectively inhibits BT474 tumor cell Hsp90 (IC50: 5 nM). (TargetMol Bioactive Compound Library)
Cell lines
590
Organisms
0
Compound Sets
19
Cayman Chemical Bioactives
11039
ChEMBL Drugs
CHEMBL109480
Drug Repurposing Hub
DrugBank
DB05134
DrugMAP
DMNLQHK
EU-OPENSCREEN Bioactive Compound Library
EOS100609
Informer Set
50134
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL109480
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL109480
MedChem Express Bioactive Compound Library
HY-10211
Novartis Chemogenetic Library (NIBR MoA Box)
Nuisance compounds in cellular assays
Obsolete Compounds
tanespimycin-17-aag
Reference compounds for characterizing cellular injury in high-content cellular morphology assays
ReFrame library
Selleckchem Bioactive Compound Library
17-AAG(Geldanamycin)
TargetMol Bioactive Compound Library
T6290
Welcome Trust Cancer Drugs
1026
ZINC Tool Compounds
ZINC000100014666
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
585.31
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
4
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
0
cLogP
2.54
TPSA
166.28
Fraction CSP3
0.48
Chiral centers
6.0
Largest ring
19.0
QED
0.27
Structural alerts
3
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
historic compounds (Chemical Probes.org)
Obsolete
Hsp90 inhibition
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Target
HSP90AA1
HSP90
Apoptosis related,Autophagy,HSP (HSP90),Mitophagy
antibiotic
Bacterial
HSP
Mitophagy
Compound status
clinical
Member status
virtual
MOA
CHK1 Expression Inhibitors
Inhibitors of Signal Transduction Pathways
Heat Shock Protein 90 (hsp90) Inhibitors
HSP inhibitor
Cellular injury category
Hsp90
Pathway
Apoptosis
Autophagy
Cytoskeletal Signaling
Metabolism
Microbiology/virology
Anti-infection
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Therapeutic Class
Anticancer Agents
Source data