General
Preferred name
ARISTOLOCHIC ACID
Synonyms
NSC11926 ()
Aristolochic acid A ()
Aristolochic acid I ()
Aristolochin ()
Aristolochine ()
TR 1736 ()
Aristolochic Acid I, Aristolochin, Aristolochine, TR 1736 ()
P&D ID
PD011395
CAS
12770-90-0
313-67-7
Tags
available
drug candidate
Drug Status
withdrawn
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 Aristolochic acid is a natural compound that is present in Thottea duchartrei and Aristolochia plants. It is used in herbal medicines. (GtoPdb)
Cell lines
1
Organisms
0
Compound Sets
10
Bioprocess diversity set
Cayman Chemical Bioactives
21520
Concise Guide to Pharmacology 2023/24
12438
Guide to Pharmacology
12438
MedChem Express Bioactive Compound Library
HY-N0510
NIH Mechanistic Set
Selleckchem Bioactive Compound Library
aristolochic-acid-a
TargetMol Bioactive Compound Library
T2801
The Spectrum Collection
Withdrawn 2.0
w11
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
341.05
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
3.34
TPSA
108.13
Fraction CSP3
0.12
Chiral centers
0.0
Largest ring
6.0
QED
0.44
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
NF-κB
Biological process
Resipration, oxidative phosphorylation, & mitochondrial targeting
ATC
B
Toxicity type
renal
Target
AP-1,NF-¦ÊB
Source data