General
Preferred name
BIIB021
Synonyms
BIIB 021 ()
BIIB-021 ()
CNF2024 ()
CNF 2024 ()
94M ()
cpd 20 ()
CNF-2024 ()
Cnf2024 ()
P&D ID
PD011103
CAS
848695-25-0
Tags
available
drug candidate
probe
Drug indication
Breast cancer
Drug Status
investigational
Max Phase
Phase 2
Probe info
Probe type
experimental probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Probe control not defined
Orthogonal probes
23
No orthogonal probes found
Similar probes
4
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
This reference looks at the specificity of HSP90 inhibitors . BIIB021 exhibits antitumour activity in preclinical models, has maximum (2nM) potency against HSP90α (HSP90AA1) but cross-reacts between the four paralogues tested .
(GtoPdb)
DESCRIPTION
This reference looks at the specificity of HSP90 inhibitors . BIIB021, that exhibits antitumour activity in preclinical models, has maximum (2nM) potency against HSP90α (HSP90AA1) but cross-reacts between the four paralogues tested .
MOA
Inhibitor
(Chemical Probes.org)
DESCRIPTION
Selective Hsp90 inhibitor
(Tocriscreen Plus)
DESCRIPTION
DNA alkylating agent; cytotoxic and antineoplastic
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
12
Organisms
0
Compound Sets
17
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
Cayman Chemical Bioactives
ChEMBL Drugs
Chemical Probes.org
Drug Repurposing Hub
DrugBank
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
High-quality chemical probes
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Plus
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
318.1
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
3
cLogP
2.13
TPSA
91.74
Fraction CSP3
0.29
Chiral centers
0.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target Type
Cell Biology
Pathway
Cytoskeletal Signaling
Metabolism
Autophagy
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Target
HSP90
HSP90AA1
HSP90 inhibitor
HSP
HSP (HSP90)
HSP90AA1, HSP90AB1
Primary Target
Hsp90
MOA
Inhibitor
HSP inhibitor
Orthogonal probe
Onalespib
Target subclass
Chaperone
Chaperone, Chaperone
Target class
Other post-translational modification
Other post-translational modification, Other post-translational modification
Source data