General
Preferred name
ALTENUSIN
Synonyms
P&D ID
PD099412
CAS
1402-75-1
31186-12-6
Tags
available
drug candidate
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)
PRICE 1021
DESCRIPTION Altenusin is a natural nonsteroidal fungal metabolite, as a novel selective agonist of FXR with an EC50 value of 3.2 ?? 0.2 ??M.
DESCRIPTION Altenusin is a a biphenyl derivative with an IC50 value of 4.3±0.3 μM in the TR assay, which is isolated from the endophytic fungus Alternaria. It inhibits Src kinase with an IC50 value of 20 nM. Altenusin inhibits fibrillization of recombinant tau fragments in vitro and phosphorylation of tau in SH-SY5Y cells expressing human P301L mutant tau when used at a concentration of 10 μM. Altenusin is known to have antioxidant properties and to inhibit several enzymes, including myosin light chain kinase, sphingomyelinase, acetylcholinesterase, cFMS kinase, pp60c-SRc kinase and HIV-1 integrase. (BOC Sciences Bioactive Compounds)
DESCRIPTION Altenusin is a natural nonsteroidal fungal metabolite, as a novel selective agonist of FXR with an EC50 value of 3.2 ± 0.2 μM. (TargetMol Bioactive Compound Library)
Compound Sets
5
BOC Sciences Bioactive Compounds
altenusin-cas-31186-12-6-item-237046
Cayman Chemical Bioactives
26911
DrugMAP
DMYCS0B
Novartis Chemogenetic Library (NIBR MoA Box)
TargetMol Bioactive Compound Library
T8895
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
290.08
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
4
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
2.49
TPSA
107.22
Fraction CSP3
0.13
Chiral centers
0.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
FXR
Member status
member
MOA
Neutral Sphingomyelinase (N-SMase) Inhibitors
HIV Integrase Inhibitors
Pathway
Metabolism
Solubility
Soluble in methanol, ethanol and DMSO.
Source data