General
Preferred name
PELRETIN
Synonyms
RWJ-18704 ()
BASF-43915 ()
ORF-18704 ()
ORF 18704 ()
BASF 43915 ()
RWJ 18704 ()
P&D ID
PD162236
CAS
91587-01-8
Tags
available
drug candidate
Drug indication
Antikeratinizing 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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
ChEMBL Drugs
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
5
Properties
(calculated by RDKit )
Molecular Weight
336.21
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
2
Aromatic Ring Count
1
cLogP
6.43
TPSA
37.3
Fraction CSP3
0.35
Chiral centers
0.0
Largest ring
6.0
QED
0.63
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
