apicidin

Ligand id: 7495

Name: apicidin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 138.84
Molecular weight 623.37
XLogP 4.97
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
IUPAC Name
(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
Synonyms
OSI-2040
Database Links
CAS Registry No. 183506-66-3 (source: Scifinder)
ChEMBL Ligand CHEMBL430060
PubChem CID 6918328
Search Google for chemical match using the InChIKey JWOGUUIOCYMBPV-GMFLJSBRSA-N
Search Google for chemicals with the same backbone JWOGUUIOCYMBPV
Wikipedia Apicidin
Comments
Acipidin is a natural product fungal metabolite [2]. It inhibits cancer cell proliferation [3], via histone deacetylase (HDAC) inhibition.