General
Preferred name
Deoxyandrographolide
Synonyms
14-Deoxyandrographolide ()
P&D ID
PD125239
CAS
4176-97-0
Tags
available
drug candidate
Drug Status
investigational
Max Phase
2.0
Drug indication
colorectal neoplasm
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 14-Deoxyandrographolide is a diterpene with calcium channel blocking activity and acts as a uterine smooth muscle relaxant. 14-Deoxyandrographolide stimulates the release of nitric oxide (NO) in endothelial cells. 14-Deoxyandrographolide gradually desensitizes liver cells to TNF-¦Á mediated apoptosis by inducing the release of TNFRSF1A[1][2][3].
PRICE 174
DESCRIPTION 14-Deoxyandrographolide is a bioactive compound of Andrographis paniculata with hepatoprotective efficacy. It desensitizes hepatocytes to TNF-??-mediated apoptosis through the release of TNFRSF1A release.
DESCRIPTION 14-Deoxyandrographolide is a bioactive compound of Andrographis paniculata with hepatoprotective efficacy. It desensitizes hepatocytes to TNF-α-mediated apoptosis through the release of TNFRSF1A release. (TargetMol Bioactive Compound Library)
Cell lines
2
Organisms
0
Compound Sets
5
Cayman Chemical Bioactives
31140
ChEMBL Drugs
CHEMBL415768
MedChem Express Bioactive Compound Library
HY-N4323
Selleckchem Bioactive Compound Library
14-deoxyandrographolide
TargetMol Bioactive Compound Library
T8288
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
334.21
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
0
cLogP
2.99
TPSA
66.76
Fraction CSP3
0.75
Chiral centers
5.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Apoptosis
Calcium Channel
Caspase
TNF-alpha, Calcium Channel
Pathway
Membrane Transporter/Ion Channel
Neuronal Signaling
Source data