General
Preferred name
SKF 64139
Synonyms
SK&F-64139 ()
7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE ()
P&D ID
PD004337
CAS
61563-24-4
57987-77-6
Tags
available
drug candidate
Drug indication
Discovery agent
Drug Status
experimental
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
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline is a potent reversible inhibitor of phenylethanolamine N-methyltransferase, Ki=1.55 nM.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
DrugBank
DrugMAP
Enamine Bioactive Compounds
EU-OPENSCREEN Bioactive Compound Library
Ki Database
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Molecular Weight
201.01
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
2
Aromatic Ring Count
1
cLogP
2.64
TPSA
12.03
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
member
Source data
