General
Preferred name
PMID24900526C1
Synonyms
compound 1 [PMID: 24900526] ()
N-(4-biphenylylsulfonyl)glycine ()
P&D ID
PD047650
Tags
available
drug candidate
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
MMP12 inhibitor (compound 1) from predrug converted to prodrug
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
291.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
2
cLogP
1.72
TPSA
83.47
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.88
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data