General
Preferred name
ADH-1
Synonyms
Exherin trifluoroacetate ()
Exherin ()
Exherin (trifluoroacetate) ()
ADH-1 (trifluoroacetate) ()
ADH-1 trifluoroacetate ()
Cys-his-ala-val-cys ()
Adh 1 ()
NSC-729477 ()
P&D ID
PD062838
CAS
229971-81-7
1135237-88-5
Tags
available
drug candidate
Drug indication
Neoplasm
Solid tumour/cancer
Drug Status
investigational
Max Phase
1.0
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
ADH-1 trifluoroacetate (Exherin trifluoroacetate) is a cyclic pentapeptide vascular-targeting agent with potential antineoplastic and antiangiogenic activities. ADH-1 selectively and competitively binds to and blocks N-cadherin, which may result in disruption of tumor vasculature, inhibition of tumor cell growth, and the induction of tumor cell and endothelial cell apoptosis.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
10
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugMAP
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
37
Molecular Weight
570.2
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
7
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
1
cLogP
-2.05
TPSA
217.27
Fraction CSP3
0.59
Chiral centers
5.0
Largest ring
17.0
QED
0.19
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
N-cadherin
CDH2
Cadherin
Member status
member
MOA
N-cadherin Inhibitor
cadherin antagonist
Therapeutic Class
Anticancer Agents
Pathway
cytoskeleton
Metabolism
Source data
