General
Preferred name
MADECASSIC ACID
Synonyms
Brahmic acid ()
NSC-88135 ()
P&D ID
PD044736
CAS
18449-41-7
Tags
natural product
drug candidate
available
Drug Status
experimental
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
DrugBank
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
504.35
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
5
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
0
cLogP
4.0
TPSA
118.22
Fraction CSP3
0.9
Chiral centers
13.0
Largest ring
6.0
QED
0.36
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Immunology/Inflammation
Target
COX
Interleukin Related
NO Synthase
TNF Receptor
COX,Immunology & Inflammation related,Interleukins,NF-¦ÊB,NOS,TNF-alpha
Source data
