General
Preferred name
SKF 29661
Synonyms
SK&F-29661 ()
1,2,3,4-Tetrahydro-Isoquinoline-7-Sulfonic Acid Amide ()
1,2,3,4-Tetrahydroisoquinoline-7-sulfonamide hydrochloride ()
P&D ID
PD007508
CAS
31404-61-2
31404-60-1
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
Inhibitor of human phenylethanolamine N-methyltransferase with Ki= 0.12 nM.
(Enamine Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
DrugBank
DrugMAP
Enamine Bioactive Compounds
Ki Database
Mcule NIBR MoA Box Subset
Novartis Chemogenetic Library (NIBR MoA Box)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
30
Molecular Weight
212.06
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
1
cLogP
-0.02
TPSA
72.19
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
Source data
