General
Preferred name
PENTOSTATIN
Synonyms
Deoxycoformycin ()
CI-825 ()
Nipent ()
Covidarabine ()
(8R)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H,6H,7H,8H-imidazo[4,5-d][1,3]diazepin-8-ol ()
CI-825,Deoxycoformycin ()
YK-176 ()
NSC-218321 ()
PD-81565 ()
PD 81565 ()
P&D ID
PD009968
CAS
53910-25-1
Tags
probe
natural product
drug
available
Approved by
FDA
First approval
1991
Drug Status
investigational
approved
Drug indication
Potentiator
Hairy cell leukaemia
Max Phase
Phase 4
Probe info
Probe selectivity
protein-selective
Probe type
calculated probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
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
Pentostatin is a purine (adenosine) analogue, antimetabolite chemotherapeutic anticancer drug.
(GtoPdb)
DESCRIPTION
Selective cdk inhibitor; potently inhibits cdk1, cdk2 and cdk5
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
28
Cayman Chemical Bioactives
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
ChEMBL 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
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
JUMP-Target 1 Compound Set
LSP-MoA library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
Novartis Chemogenetic Library (NIBR MoA Box)
Probe Miner (suitable probes)
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
49
Molecular Weight
268.12
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
2
Ring Count
3
Aromatic Ring Count
1
cLogP
-0.99
TPSA
112.13
Fraction CSP3
0.64
Chiral centers
4.0
Largest ring
7.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
MOA
adenosine deaminase inhibitor
Inhibitor
Antimetabolites
Adenosine Deaminase Inhibitors
"Antimetabolites
Adenosine Deaminase Inhibitors"
adenosine deaminase inhibitor, ribonucleotide reductase inhibitor
Target
Adenosine Deaminase
Adenosine Receptor
ADA
antibiotic
Adenosine Deaminase,DNA/RNA Synthesis
Pathway
Neuroscience
Anti-infection
Metabolic Enzyme/Protease
Primary Target
Deaminases
Member status
member
Indication
hairy cell leukemia
Therapeutic Class
Anticancer Agents
Source data
