General
Preferred name
PD010129
Synonyms
P&D ID
PD010129
CAS
74863-84-6
121785-71-5
Tags
natural product
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
1
Drug Repurposing Hub
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
508.25
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
5
Rotatable Bonds
9
Ring Count
3
Aromatic Ring Count
1
cLogP
0.7
TPSA
180.21
Fraction CSP3
0.61
Chiral centers
4.0
Largest ring
6.0
QED
0.18
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
heparin-induced thrombocytopenia (HIT)
Target
F2
MOA
Thrombin inhibitor
Source data
