General
Preferred name
DANUSERTIB
Synonyms
PHA-739358 ()
Danusertib (PHA-739358) ()
P&D ID
PD011133
CAS
827318-97-8
Tags
available
molecular glue
probe
drug candidate
Drug indication
Multiple myeloma
Prostate cancer
Drug Status
investigational
Max Phase
2.0
Probe info
Probe type
experimental probe
Probe sources
Chemical Probes.org
Probe targets
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 Danusertib is a small-molecule Aurora kinase inhibitor with potential antineoplastic activity. Its discovery is reported in where it is compound 9d. (GtoPdb)
DESCRIPTION Danusertib is a pyrrolo-pyrazole and aurora kinase inhibitor with IC50 of 13, 79, and 61 nM for Aurora A, B, and C, respectively.
PRICE 189
MOA Inhibitor (Chemical Probes.org)
DESCRIPTION Danusertib is a small-molecule 3-aminopyrazole derivative with potential antineoplastic activity. Aurora kinase inhibitor PHA-739358 binds to and inhibits the Aurora kinases, which may result in cell growth arrest and apoptosis in tumor cells in which Aurora kinases are overexpressed. This agent may preferentially bind to and inhibit Aurora B kinase. Aurora kinases, a family of serine-threonine kinases, are important regulators of cellular proliferation and division. (BOC Sciences Bioactive Compounds)
DESCRIPTION Danusertib (PHA-739358) is a small-molecule 3-aminopyrazole derivative with potential antineoplastic activity. Danusertib binds to and inhibits the Aurora kinases, which may result in cell growth arrest and apoptosis in tumor cells in which Aurora kinases are overexpressed. (TargetMol Bioactive Compound Library)
Cell lines
5
Organisms
6
Compound Sets
22
AdooQ Bioactive Compound Library
A10715
BOC Sciences Bioactive Compounds
danusertib-cas-827318-97-8-item-84-136554
Cayman Chemical Bioactives
18387
ChEMBL Drugs
CHEMBL402548
Chemical Probes.org
danusertib
Clinical kinase drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB11778
DrugMAP
DMGYBZI
EU-OPENSCREEN Bioactive Compound Library
EOS101532
Guide to Pharmacology
7937
JUMP-Target 1 Compound Set
11442891
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL402548
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
CHEMBL402548
MedChem Express Bioactive Compound Library
HY-10179
MolGlueDB
1626
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
PHA-739358(Danusertib)
TargetMol Bioactive Compound Library
T2094
The Pathogen Box
External IDs
63
Properties
(calculated by RDKit )
Molecular Weight
474.24
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
3
cLogP
2.64
TPSA
93.8
Fraction CSP3
0.35
Chiral centers
1.0
Largest ring
6.0
QED
0.57
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Disease
KINETOPLASTIDS
Targets
AURKA,AURKB,AURKC
Pathway
Angiogenesis
Apoptosis
Autophagy
Cell Cycle/Checkpoint
Chromatin/Epigenetic
Cytoskeletal Signaling
Tyrosine Kinase/Adaptors
Cell Cycle/DNA Damage
Epigenetics
Target
AURKA, AURKB, AURKC, FGFR1, NTRK1, RET, SLK
RET
AURKA
AURKB
AURKC
Apoptosis related,Aurora Kinase,Autophagy,Bcr-Abl,c-RET,FGFR,Trk receptor
Aurora Kinase
ABL
Aurora A
Aurora B
Aurora C
FGFR1
TrkA
AURKA, AURKB, AURKC
MOA
Aurora kinase inhibitor, growth factor receptor inhibitor
Target class
Kinase, Kinase, Kinase
Target subclass
Ser/Thr Kinase, Ser/Thr Kinase, Ser/Thr Kinase
Source data