General
Preferred name
Chicoric Acid
Synonyms
(-)-Chicoric acid ()
trans-Caffeoyltartaric acid ()
L-Chicoric Acid ()
CICHORIC ACID ()
Dicaffeoyltartaric acid ()
P&D ID
PD052435
CAS
6537-80-0
70831-56-0
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)
PRICE 54
DESCRIPTION Cichoric Acid (Dicaffeoyltartaric acid) is a potent inhibitor of human immunodeficiency virus type-1 (HIV-1) integrase and the replication in tissues. It also a class of cannabinomimetics with CB2 receptor-dependent and independent.
DESCRIPTION L-Chicoric Acid ((-)-Chicoric acid) is a dicaffeoyltartaric acid and a potent, selective and reversible HIV-1 integrase inhibitor with an IC50 of ~100 nM. L-Chicoric Acid inhibits HIV-1 replication in tissue culture[1][2][3].
Cell lines
2
Organisms
2
Compound Sets
6
AdooQ Bioactive Compound Library
A12030
Cayman Chemical Bioactives
24960
CovalentInDB
CI006254
EU-OPENSCREEN Bioactive Compound Library
EOS100223
MedChem Express Bioactive Compound Library
HY-N0457
HY-N0457A
Selleckchem Bioactive Compound Library
chicoric-acid
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
474.08
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
6
Rotatable Bonds
9
Ring Count
2
Aromatic Ring Count
2
cLogP
1.23
TPSA
208.12
Fraction CSP3
0.09
Chiral centers
2.0
Largest ring
6.0
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Anti-infection
MOA
HIV Protease inhibitor
Target
Apoptosis
Reactive Oxygen Species (ROS)
Endogenous Metabolite
HIV
HIV Integrase
Source data