General
Preferred name
LUF5831
Synonyms
P&D ID
PD046556
Tags
drug candidate
Drug indication
Discovery agent
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 The tautomer represented by this ligand entry is the same as that shown in the listed references, and represented by the ChEMBL entry and CAS number listed above. The structure on the PubChem entry linked to above shows a different tautomer, with InChi Key IFNPALBTVAZLMZ-UHFFFAOYSA-N. (GtoPdb)
Compound Sets
2
DrugMAP
DMYZGIK
Guide to Pharmacology
376
External IDs
10
Properties
(calculated by RDKit )
Molecular Weight
312.07
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
1.86
TPSA
126.95
Fraction CSP3
0.13
Chiral centers
0.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data