General
Preferred name
CILENGITIDE
Synonyms
EMD 121974 ()
Cilengitide (TFA) ()
EMD 121974 (TFA) ()
EMD 121974, NSC 707544 ()
EMD 121974, EMD-12192, EMD-85189, NSC-?707544 ()
Cilengitide?trifluoroacetate ()
Cilengitide (trifluoroacetate salt) ()
Cilengitida ()
EMD-121974 ()
EMD-12192 ()
P&D ID
PD010634
CAS
188968-51-6
199807-35-7
Tags
available
drug candidate
Drug indication
Neoplasm
Rheumatoid arthritis
Drug Status
investigational
Max Phase
3.0
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
Cilengitide is a pentapeptide, first-in-class integrin inhibitor. It inhibits integrin αv-induced angiogenesis. It was investigated for anti-tumour activity. Glioblastoma was one of the cancers investigated , based on encouraging preclinical studies in animals .
DESCRIPTION
Cilengitide is a cyclic RGD pentapeptide, first-in-class integrin inhibitor. It inhibits integrin αv-induced angiogenesis. It was investigated for anti-tumour activity. Glioblastoma was one of the cancers investigated , based on encouraging preclinical studies in animals .
(GtoPdb)
DESCRIPTION
Cilengitide (EMD 121974) is a potent integrins antagonist with IC50s of 0.61 nM (¦Á¦Í¦Â3), 8.4 nM (¦Á¦Í¦Â5) and 14.9 nM (¦Á5¦Â1), respectively. Cilengitide inhibits the binding of ¦Á¦Í¦Â3 and ¦Á¦Í¦Â5 to Vitronectin with IC50s of 4 nM and 79 nM, respectively. Cilengitide inhibits TGF-¦Â/Smad signaling, mediates PD-L1 expression. Cilengitide also induces apoptosis, shows antiangiogenic effect in the research against glioblastoma and other cancers[1][2][3].
DESCRIPTION
Cilengitide (EMD 121974) is a potent integrin inhibitor for the αvβ3/5 receptor (IC50: 4.1/79 nM, in cell-free assays) with approximately 10-fold selectivity against gpIIbIIIa.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
15
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
42
Molecular Weight
588.3
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
8
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
1
cLogP
-1.97
TPSA
235.91
Fraction CSP3
0.52
Chiral centers
4.0
Largest ring
15.0
QED
0.09
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
¦ÁV¦Â3 integrin
¦ÁV¦Â5 integrin
ITGAV, ITGB3
Apoptosis
Integrin
PD-1/PD-L1
STAT
αVβ3 integrin
αVβ5 integrin
MOA
Integrin inhibitor
Integrin binder
Integrin alphavbeta3 (Vitronectin) Antagonists
Integrin alphavbeta5 Antagonists
"Integrin binder
Integrin alphavbeta5 Antagonists"
Integrin antagonist
Member status
member
Pathway
Autophagy
Cytoskeletal Signaling
cytoskeleton
Immunology/Inflammation
JAK/STAT Signaling
Stem Cell/Wnt
Source data
