General
Preferred name
(+)-MDL 105725
Synonyms
P&D ID
PD016864
CAS
189192-18-5
Tags
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()] ]]
Description
(extracted from source data)
DESCRIPTION
(+)-MDL 105725 is an active metabolite of MDL 100907, which is a selective 5-HT2A antagonist.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
Axon Medchem Screening Library
BOC Sciences Bioactive Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Molecular Weight
359.19
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
2
cLogP
3.53
TPSA
52.93
Fraction CSP3
0.43
Chiral centers
1.0
Largest ring
6.0
QED
0.83
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
5-HT2A antagonist
Source data
