General
Preferred name
CCT-018159
Synonyms
CCT 018159 ()
CCT018159 ()
P&D ID
PD005041
CAS
171009-07-7
Tags
available
drug candidate
Drug indication
Solid tumour/cancer
Drug Status
experimental
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 Hsp90 inhibitor (Tocriscreen Plus)
DESCRIPTION Immunomodulator; inhibits IL-10 synthesis and potentiates IL-1alpha, IL-2 and TNF-alpha release (Tocris Bioactive Compound Library)
DESCRIPTION Hsp90 inhibitor (Tocriscreen Total)
Cell lines
365
Organisms
0
Compound Sets
9
Cayman Chemical Bioactives
Drug Repurposing Hub
DrugBank
DrugMAP
MedChem Express Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Plus
Tocriscreen Total
ZINC Tool Compounds
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
352.14
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
3.8
TPSA
87.6
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target Type
Cell Biology
Primary Target
Hsp90
MOA
Inhibitor
HSP inhibitor
Target
HSP90AA1, HSP90AB1
HSP
Pathway
Apoptosis
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Therapeutic Class
Anticancer Agents
Source data