General
Preferred name
CG-200745
Synonyms
CG-200745 (formic) ()
CG200745 ()
Ivaltinostat (formic) ()
CG 2 (HDAC INHIBITOR) ()
HDCG-0745 ()
J3.106.463E ()
CG-2 ()
Ivaltinostat ()
P&D ID
PD058836
CAS
936221-33-9
Tags
natural product
drug candidate
available
Drug indication
Solid tumour/cancer
Drug Status
investigational
Max Phase
2.0
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 CG200745 is a pan-histone deacetylase inhibitor that is being developed by Crystal Genomics . It is being explored for anti-tumourigenic and anti-fibrotic potential . (GtoPdb)
DESCRIPTION CG200745 is a novel hydroxamate-based pan-histone deacetylase inhibitor (HDACI). Like other inhibitors, CG200745 has the hydroxamic acid moiety to bind zinc at the bottom of catalytic pocket. CG200745 inhibited deacetylation of histone H3 and tubulin as much as vorinostat and belinostat did. CG200745 also inhibited growth of prostate cancer cells, increased sub-G1 population, and activated caspase-9, -3 and -8 in LNCaP, DU145 and PC3 cells. These results indicate that CG200745 induces apoptosis. The preclinical results show that combination treatment with docetaxel and new HDACI, CG200745, potentiated anti-tumor effect in hormone-refractory prostate cancer (HRPC) cells via activation of apoptosis. (BOC Sciences Bioactive Compounds)
Compound Sets
7
BOC Sciences Bioactive Compounds
cg200745-cas-936221-33-9-item-84-462318
ChEMBL Drugs
CHEMBL4297366
DrugBank
DB12259
DB17118
DrugMAP
DM3U2VY
Guide to Pharmacology
10055
MedChem Express Bioactive Compound Library
HY-16138A
ReFrame library
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
427.25
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
13
Ring Count
2
Aromatic Ring Count
2
cLogP
3.28
TPSA
90.9
Fraction CSP3
0.42
Chiral centers
0.0
Largest ring
6.0
QED
0.2
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Cell Cycle/DNA Damage
Epigenetics
Target
HDAC
MDM-2/p53
Source data