General
Preferred name
MK-2048
Synonyms
P&D ID
PD021608
CAS
869901-69-9
Tags
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
MK-2048 is a second generation integrase inhibitor (IC50=2.6 nM). It can inhibits the HIV enzyme integrase 4 times longer than raltegravir.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
Drug Repurposing Hub
Selleckchem Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
19
Molecular Weight
461.13
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
2.14
TPSA
109.46
Fraction CSP3
0.33
Chiral centers
1.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HIV Integrase
HIV
Integrase
Pathway
Metabolic Enzyme/Protease
Anti-infection
MOA
HIV integrase inhibitor
Solubility
DMSO: 9 mg/mL (19.48 mM)<br/>Water: Insoluble<br/>Ethanol: Insoluble
Source data
