General
Preferred name
COSTUNOLIDE
Synonyms
Costus lactone ()
(+)-Costunolide ()
NSC 106404 ()
Costunolid ()
Costus lactone(+)-Costunolide ()
Melampolide ()
P&D ID
PD011023
CAS
553-21-9
Tags
covalent binder
drug candidate
natural product
available
Drug indication
Discovery agent
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 Selective Rho-kinase (ROCK) inhibitor. More selective analog of H 1152 dihydrochloride (Cat. No. 2414) (Tocris Bioactive Compound Library)
DESCRIPTION Inhibitor of human telomerase activity (Tocriscreen Total)
Cell lines
11
Organisms
0
Compound Sets
8
CovalentInDB
CI002226
Drug Repurposing Hub
DrugMAP
DMU6OB4
MedChem Express Bioactive Compound Library
HY-N0036
Selleckchem Bioactive Compound Library
Costunolide
TargetMol Bioactive Compound Library
T2902
Tocris Bioactive Compound Library
2483
Tocriscreen Total
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
232.15
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
0
cLogP
3.55
TPSA
26.3
Fraction CSP3
0.53
Chiral centers
2.0
Largest ring
10.0
QED
0.36
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
DNA Damage/DNA Repair
Apoptosis
Metabolic Enzyme/Protease
Target
FPTase
Telomerase (MCF-7)
Telomerase (MDA-MB-231)
Endogenous Metabolite
Primary Target
Telomerase
MOA
Inhibitor
Telomerase inhibitor
Source data