General
Preferred name
CYCLANDELATE
Synonyms
3,5,5-Trimethylcyclohexyl mandelate ()
BS 572 ()
cyclandelate, Elan ()
BS 572,3,5,5-Trimethylcyclohexyl mandelate ()
Cyclolyt ()
Natil ()
Perebral ()
Cyclospasmol ()
NSC-758910 ()
Cyclomandol ()
Cyclobral ()
Novodil ()
Spasmocyclon (3m) ()
Cyclergine ()
P&D ID
PD000631
CAS
28283-32-1
456-59-7
Tags
natural product
drug
available
Drug Status
approved
Drug indication
Dementia
Max Phase
Phase 4
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 Cyclandelate is an effective inhibitor of rat hepatic acycloenzyme A: cholesterol acyltransferase (ACAT) with IC50 of 80 μM. (BOC Sciences Bioactive Compounds)
Compound Sets
17
AdooQ Bioactive Compound Library
A16471
BOC Sciences Bioactive Compounds
cyclandelate-cas-456-59-7-item-84-69154
ChEMBL Approved Drugs
CHEMBL1480987
ChEMBL Drugs
CHEMBL1480987
DrugBank
DB04838
DrugBank Approved Drugs
DB04838
DrugCentral
747
DrugCentral Approved Drugs
747
DrugMAP
DMO0R76
DrugMAP Approved Drugs
DMO0R76
DrugMatrix
MedChem Express Bioactive Compound Library
HY-B1170
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
cyclandelate
TargetMol Bioactive Compound Library
T0504
The Spectrum Collection
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
276.17
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
3.48
TPSA
46.53
Fraction CSP3
0.59
Chiral centers
3.0
Largest ring
6.0
QED
0.86
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
ACAT
Acyltransferase,Transferase
Source data