General
Preferred name
PD129018
Synonyms
7-Bromo-1,2,3,4-tetrahydroisoquinoline ()
P&D ID
PD129018
CAS
17680-55-6
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
7-Bromo-1,2,3,4-tetrahydroisoquinoline exhibits strong PNMT inhibitory activity as well as R2-adrenoceptor affinity.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
Enamine Bioactive Compounds
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Molecular Weight
211.0
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
1
cLogP
2.09
TPSA
12.03
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
member
MOA
Phenylethanolamine N-methyltransferase inhibitor
Source data
