General
Preferred name
LAPACHOL
Synonyms
Bethabarra wood ()
CI75490 ()
Greenhartin ()
Tecomin ()
Tecomin, CI75490, Bethabarra wood, Greenhartin ()
P&D ID
PD001450
CAS
84-79-7
Tags
available
covalent binder
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 Lapachol, a natural naphthoquinone, is an orally active, potent DHODH inhibitor. Lapachol has immunosuppressive activity on lymphocytes through its direct ability to block DHODH activity and inhibit pyrimidine synthesis. Lapachol is a vitamin K antagonist with antitumor activity and can inhibit DNA and RNA synthesis in neoplastic cells. Lapachol has anti-Leishmania activity[1][2][3].
PRICE 29
DESCRIPTION Lapachol (CI75490) has antimicrobial properties against many pathogens. It has anti-inflammatory, analgesic and antibiotic properties. It is an inhibitor of epithelial tumors in Drosophila melanogaster heterozygote. (TargetMol Bioactive Compound Library)
Cell lines
15
Organisms
4
Compound Sets
8
Cayman Chemical Bioactives
30190
CovalentInDB
CI007067
DrugMatrix
MedChem Express Bioactive Compound Library
HY-N6961
NIH Mechanistic Set
Selleckchem Bioactive Compound Library
lapachol
TargetMol Bioactive Compound Library
T4136
The Spectrum Collection
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
242.09
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
2
Aromatic Ring Count
1
cLogP
3.23
TPSA
54.37
Fraction CSP3
0.2
Chiral centers
0.0
Largest ring
6.0
QED
0.81
Structural alerts
1
quinone_A(370)
[!#6&!#1]=[#6]1[#6]=,:[#6][#6](=[!#6&!#1])[#6]=,:[#6]1
PAINS Family A
Custom attributes
(extracted from source data)
Pathway
Microbiology/virology
Anti-infection
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
MOA
Others inhibitor
Target
Dihydroorotate Dehydrogenase
DNA/RNA Synthesis
Parasite
Antiviral
Bacterial
Fungal
Influenza Virus
Source data