General
Preferred name
PMID23631440C29e
Synonyms
compound 29e [PMID: 23631440] ()
P&D ID
PD046889
Tags
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
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
Compound 29e is reported as an inhibitor of matrix metallopeptidases, with high affinity for MMP9 and MMP14 .
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Molecular Weight
505.17
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
3
Rotatable Bonds
11
Ring Count
3
Aromatic Ring Count
2
cLogP
2.96
TPSA
104.81
Fraction CSP3
0.42
Chiral centers
2.0
Largest ring
6.0
QED
0.32
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
