General
Preferred name
BUPARLISIB
Synonyms
BKM-120, BKM120-NX, Buparlisib HCl, NVP-BKM120, BKM120-AAA ()
BKM120 ()
NVP-BKM120 ()
BKM120 (NVP-BKM120) ()
BKM120 (Hydrochloride) ()
NVP-BKM120 (Hydrochloride) ()
Buparlisib (Hydrochloride) ()
BKM-120 ()
BKM-120NX ()
BKM120-NX ()
NVP-BKM-120 ()
NVP-BKM120 Hydrochloride ()
Buparlisib (BKM120) ()
BKM120-AAA ()
BKM-120AAA ()
BUPARLISIB HYDROCHLORIDE ()
P&D ID
PD010807
CAS
944396-07-0
1202777-78-3
1312445-63-8
Tags
available
drug candidate
Drug indication
Breast cancer
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 The discovery of buparlisib is described in where it is compound 15. Buparlisib is a selective and orally bioavailable phosphoinositide 3-kinase (PI3K) inhibitor . (GtoPdb)
DESCRIPTION NVP-BKM120 Hcl(BKM120) is a selective PI3K inhibitor of p110α/β/δ/γ with IC50 of 52 nM/166 nM/116 nM/262 nM, respectively. (BOC Sciences Bioactive Compounds)
Cell lines
43
Organisms
0
Compound Sets
21
AdooQ Bioactive Compound Library
A11016
Axon Medchem Screening Library
1797
BOC Sciences Bioactive Compounds
nvp-bkm120-hydrochloride-cas-1312445-63-8-item-84-457890
Cayman Chemical Bioactives
11587
ChEMBL Drugs
CHEMBL2364604
CHEMBL2017974
Clinical kinase drugs
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB11666
DrugMAP
DM1WEHC
Guide to Pharmacology
7878
JUMP-Target 1 Compound Set
16654980
LINCS compound set
10147-101
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL2017974
Mcule NIBR MoA Box Subset
MCULE-1039421261
MedChem Express Bioactive Compound Library
HY-15180
HY-70063
Novartis Chemogenetic Library (NIBR MoA Box)
PKIDB
ReFrame library
Selleckchem Bioactive Compound Library
BKM-120
TargetMol Bioactive Compound Library
T1827
External IDs
44
Properties
(calculated by RDKit )
Molecular Weight
410.17
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
2
cLogP
1.81
TPSA
89.63
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
6.0
QED
0.82
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Targets
PIK3CA,PIK3CB,PIK3CD,PIK3CG
Pathway
PI3K/Akt/mTOR signaling
Apoptosis
PI3K/Akt/mTOR
Target
p110??
Vps34
PIK3CA, PIK3CG
PIK3CG
PIK3CA
Apoptosis related,PI3K
MOA
PI3K
Phosphatidylinositol 3-Kinase alpha (PI3Kalpha) Inhibitors
PI3K inhibitor
Member status
virtual
Source data