General
Preferred name
INDALPINE
Synonyms
1H-indole, 3-(2-(4-piperidinyl)ethyl)- ()
LM-5008 ()
Indalpina ()
P&D ID
PD009081
CAS
63758-79-2
Tags
available
drug
Drug Status
approved
withdrawn
investigational
Max Phase
4.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Indalpine is a selective 5-hydroxytryptamine uptake inhibitor, IC50 = 1 nM. (Enamine Bioactive Compounds)
Cell lines
0
Organisms
1
Compound Sets
13
ChEMBL Approved Drugs
CHEMBL276520
ChEMBL Drugs
CHEMBL276520
Drug Repurposing Hub
DrugBank
DB08953
DrugCentral
1432
DrugCentral Approved Drugs
1432
DrugMatrix
Enamine Bioactive Compounds
EBC-47481
Ki Database
INDALPINE
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL276520
NPC Screening Collection
ReFrame library
Withdrawn 2.0
w128
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
228.16
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
3.1
TPSA
27.82
Fraction CSP3
0.47
Chiral centers
0.0
Largest ring
6.0
QED
0.83
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
SLC6A4
MOA
selective serotonin reuptake inhibitor (SSRI)
ATC
N
Toxicity type
hematological
Source data