General
Preferred name
MILTIRONE
Synonyms
Rosmariquinone ()
P&D ID
PD158074
CAS
27210-57-7
Tags
available
drug candidate
Drug indication
Anxiety disorder
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 Miltirone is an orally active natural compound found in the root of Salvia miltiorrhiza. Miltirone is a central benzodiazepine receptor partial agonist, with an IC50 of 0.3 ¦ÌM. Miltirone induces ROS - and-p53 dependent apoptosis. Miltirone inhibits carboxylesterase 2 (CES2; Ki = 0.04 ¦ÌM) and SARS-CoV main protease (Mpro)[1][2][3][4].
PRICE 230
DESCRIPTION Miltirone is a CYPs inhibitor, it has been characterized as a low-affinity ligand for central benzodiazepine receptors. (TargetMol Bioactive Compound Library)
Cell lines
4
Organisms
0
Compound Sets
5
Cayman Chemical Bioactives
36663
DrugMAP
DMZNWAV
MedChem Express Bioactive Compound Library
HY-N1951
Selleckchem Bioactive Compound Library
miltirone
TargetMol Bioactive Compound Library
TN1023
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
282.16
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
1
cLogP
4.11
TPSA
34.14
Fraction CSP3
0.47
Chiral centers
0.0
Largest ring
6.0
QED
0.73
Structural alerts
2
quinone_D(2)
[#6]-1(-[#6]=,:[#6]-[#6]=,:[#6]-[#6]-1=[!#6&!#1])=[!#6&!#1]
PAINS Family C
imine_one_A(321)
[#6]-[#6](=[!#6&!#1;!R])-[#6](=[!#6&!#1;!R])-[$([#6]),$([#16](=[#8])=[#8])]
PAINS Family A
Custom attributes
(extracted from source data)
Target
CYP
GABA Receptor
Apoptosis
Carboxylesterase (CES)
SARS-CoV
benzodiazepine receptors
Pathway
Membrane Transporter/Ion Channel
Metabolism
Neuroscience
Anti-infection
Metabolic Enzyme/Protease
Neuronal Signaling
Source data