General
Preferred name
TEMSIROLIMUS
Synonyms
CCI-779 ()
CCI-779, Temsirolimus ()
Torisel ()
NSC 683864 ()
NSC 683864,CCI-779 ()
Temsirolimus (CCI-779) ()
CCI-779WAY-130,779TemsirolimusRapamycin 42-[3-hydroxy-2(hydroxymethyl)-2-methylpropanoate] ()
P&D ID
PD003551
CAS
162635-04-3
Tags
available
drug
Approved by
FDA
EMA
First approval
2007
Drug indication
Renal cell carcinoma
Lymphoma
Drug Status
approved
Max Phase
4.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Temsirolimus is an inhibitor of mTOR with an IC50 of 1.76 ¦ÌM. Temsirolimus activates autophagy and prevents deterioration of cardiac function in animal model[8].
DESCRIPTION
Temsirolimus is a Type-3 kinase inhibitor and was first approved by the FDA in 2007. There is some ambiguity in the literature surrounding the exact stereochemistry of temsirolimus. Other common representations are CID 23724530, CID 24847874 and CID 9876533. Our representation and the PubChem and ChEMBL links in the table above show a structure identical to that contained in the INN record for this drug.
(GtoPdb)
DESCRIPTION
inhibitor of mTOR
(Informer Set)
DESCRIPTION
Temsirolimus is a antineoplastic agent used in the treatment of renal cell carcinoma (RCC) that works by inhibiting mTOR.
(Enamine Bioactive Compounds)
DESCRIPTION
Temsirolimus (CCI-779) is a specific mTOR inhibitor ( IC50: 1.76 μM), used in the treatment of advanced renal cell cancer.
(TargetMol Bioactive Compound Library)
DESCRIPTION
High affinity and selective WDR5 antagonist
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
576
Organisms
0
Compound Sets
23
ChEMBL Approved Drugs
ChEMBL Drugs
Clinical kinase drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Enamine Bioactive Compounds
Guide to Pharmacology
Informer Set
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
NIH Approved Oncology Drugs
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Welcome Trust Cancer Drugs
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
38
Molecular Weight
1029.6
Hydrogen Bond Acceptors
16
Hydrogen Bond Donors
4
Rotatable Bonds
10
Ring Count
4
Aromatic Ring Count
0
cLogP
5.72
TPSA
241.96
Fraction CSP3
0.75
Chiral centers
15.0
Largest ring
29.0
QED
0.12
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
MTOR
Bacterial
Apoptosis related,Autophagy,mTOR
Compound status
FDA
Pathway
TOR signaling
Apoptosis
Autophagy
PI3K/Akt/mTOR signaling
Anti-infection
PI3K/Akt/mTOR
Primary Target
mTOR
MOA
Inhibitor
mTOR inhibitor
Indication
renal cell carcinoma (RCC)
Source data
