General
Preferred name
compound 13 [PMID: 23098072]
Synonyms
P&D ID
PD047178
Tags
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 This is a dye-labelled Toll-like receptor 2 agonist, designed for targeted pancreatic cancer imaging . The unlabelled compound (10; PubChem CID 71451937) has potential immunotherapeutic action. (GtoPdb)
Compound Sets
5
Concise Guide to Pharmacology 2017/18
8888
Concise Guide to Pharmacology 2019/20
8888
Concise Guide to Pharmacology 2021/22
8888
Concise Guide to Pharmacology 2023/24
8888
Guide to Pharmacology
8888
External IDs
3
Properties
(calculated by RDKit )
Molecular Weight
2260.14
Hydrogen Bond Acceptors
33
Hydrogen Bond Donors
10
Rotatable Bonds
97
Ring Count
5
Aromatic Ring Count
2
cLogP
9.01
TPSA
580.59
Fraction CSP3
0.71
Chiral centers
4.0
Largest ring
6.0
QED
0.01
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data