General
Preferred name
VOLASERTIB
Synonyms
BI 6727 ()
BI-6727, BI-6727-CL3, Volasertib Trihydrochloride ()
BI6727 ()
BI-6727 ()
Volasertib (BI 6727) ()
BI 6727 CL3 ()
BI-6727-CL3 ()
Volasertib hydrochloride ()
BI-6727 CL3 ()
VOLASERTIB TRIHYDROCHLORIDE ()
P&D ID
PD010810
CAS
755038-65-4
Tags
available
drug candidate
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 Volasertib is an ATP-competitive, investigational inhibitor of polo-like kinase 1 (PLK1). It is the second in a novel class of drugs called dihydropteridinone derivatives . Please note this compound is represented on PubChem by CID 10461508. This CID varies slightly in its chiral specification from our ligand entry and so is not included in the table of links above.
DESCRIPTION Volasertib is an ATP-competitive, investigational inhibitor of polo-like kinase 1 (PLK1). It is the second in a novel class of drugs called dihydropteridinone derivatives . This compound is represented on PubChem by CID 10461508. This CID varies slightly in its chiral specification from our ligand entry. Our structure was drawn from the image submitted to the WHO for the INN (note that the long chemical name provided for the INN registration is not sufficient to resolve absolute stereochemistry as depicted in the accompanying image). Some bioactivity may be linked to the trihydrochloride salt form. (GtoPdb)
Cell lines
12
Organisms
0
Compound Sets
18
Axon Medchem Screening Library
1473
Cayman Chemical Bioactives
18193
ChEMBL Drugs
CHEMBL1233528
CHEMBL2105742
Clinical kinase drugs
Drug Repurposing Hub
DrugBank
DB12062
EU-OPENSCREEN Bioactive Compound Library
EOS101444
EUbOPEN Chemogenomics Library
EUB0000669
Guide to Pharmacology
7947
LINCS compound set
10387-101
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1233528
Mcule NIBR MoA Box Subset
MCULE-8305736812
MedChem Express Bioactive Compound Library
HY-12137
Novartis Chemogenetic Library (NIBR MoA Box)
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
BI6727-Volasertib
TargetMol Bioactive Compound Library
T6019
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
618.4
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
2
Rotatable Bonds
10
Ring Count
6
Aromatic Ring Count
2
cLogP
4.27
TPSA
106.17
Fraction CSP3
0.65
Chiral centers
1.0
Largest ring
6.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Targets
PLK1
Pathway
Cell Cycle/Checkpoint
Apoptosis
Cell Cycle/DNA Damage
MOA
PLK
pan PLK inhibitor
PLK inhibitor
Member status
member
Target
PLK1 inhibitor
Polo-like Kinase (PLK)
Apoptosis related,PLK
Recommended Cell Concentration
100 nM
Source data