General
Preferred name
nutlin-3
Synonyms
Nutlin 3a ()
Nutlin-3a (-) ()
Nutlin-3a chiral ()
(-)-Nutlin-3 ()
(?)-Nutlin-3 ()
Nutlin-3a ()
Nutlin-3a chiral(-)-Nutlin-3(?)-Nutlin-3 ()
Rebemadlin ()
P&D ID
PD013046
CAS
675576-98-4
548472-68-0
Tags
available
drug candidate
obsolete probe
Drug Status
investigational
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 Potent and selective PI 3-kinase delta inhibitor; orally bioavailable (Tocris Bioactive Compound Library)
Cell lines
235
Organisms
0
Compound Sets
15
AdooQ Bioactive Compound Library
A11501
Axon Medchem Screening Library
1880
Cayman Chemical Bioactives
18585
10004372
Drug Repurposing Hub
DrugBank
DB17039
IPPI - DB
2020
1650
LINCS compound set
10268-101
MedChem Express Bioactive Compound Library
HY-10029
Obsolete Compounds
nutlin-3a
ReFrame library
Selleckchem Bioactive Compound Library
nutlin-3a
TargetMol Bioactive Compound Library
T6023
Tocris Bioactive Compound Library
6075
Welcome Trust Cancer Drugs
1047
ZINC Tool Compounds
ZINC000016051336
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
580.16
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
3
cLogP
5.89
TPSA
83.47
Fraction CSP3
0.3
Chiral centers
2.0
Largest ring
6.0
QED
0.39
Structural alerts
1
historic compounds (Chemical Probes.org)
Obsolete
Related compounds
Custom attributes
(extracted from source data)
Pathway
p53 pathway
Apoptosis
Autophagy
Metabolic Enzyme/Protease
Target
MDM2
p53/MDM2
p53-MDM2
MDM2, TP53
MDM2 inhibitor
E1/E2/E3 Enzyme
MDM-2/p53
Apoptosis related,Autophagy,MDM2/MDMX,p53
Primary Target
Ubiquitin E3 Ligases
MOA
Inhibitor
MDM inhibitor
Source data