General
Preferred name
CHIR-090
Synonyms
CHIR090 ()
CHIR 090 ()
N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide ()
P&D ID
PD005095
CAS
728865-23-4
Tags
available
drug candidate
Drug Status
experimental
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 CHIR-090 is a potent, slow, tight-binding inhibitor of the LpxC deacetylase. It binds to E. coli LpxC with a Ki of 4.0 nM. CHIR-090 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
PRICE 141
DESCRIPTION CHIR-090 is a very potent and selective LpxC inhibitor with antibiotic activity. (TargetMol Bioactive Compound Library)
Compound Sets
7
AdooQ Bioactive Compound Library
A12365
Axon Medchem Screening Library
2000
Cayman Chemical Bioactives
22256
DrugBank
DB07536
MedChem Express Bioactive Compound Library
HY-15460
Selleckchem Bioactive Compound Library
chir-090
TargetMol Bioactive Compound Library
T3702
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
437.2
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
4
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
2
cLogP
0.9
TPSA
111.13
Fraction CSP3
0.33
Chiral centers
2.0
Largest ring
6.0
QED
0.3
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Bacterial
LpxC inhibitor
antibiotic
Antibiotics
Pathway
Microbiology/virology
Anti-infection
Source data