General
Preferred name
EBASTINE
Synonyms
RP64305 ()
LAS-W 090 ()
Kestine ()
Ebastel ()
Ebastin ()
LAS-W 090,RP64305 ()
RP-64305 ()
RP 64305 ()
LAS W-090 ()
LAS-W-090 ()
Ebastine-d5 ()
P&D ID
PD000095
CAS
90729-43-4
1216953-13-7
Tags
natural product
drug
available
First approval
1990
Drug Status
investigational
approved
Drug indication
Irritable bowel syndrome
Antihistaminic
Max Phase
Phase 3
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
18
AdooQ Bioactive Compound Library
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMatrix
LSP-MoA library (Laboratory of Systems Pharmacology)
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
MedChem Express Bioactive Compound Library
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
37
Properties
(calculated by RDKit )
Molecular Weight
469.3
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
9
Ring Count
4
Aromatic Ring Count
3
cLogP
7.22
TPSA
29.54
Fraction CSP3
0.41
Chiral centers
0.0
Largest ring
6.0
QED
0.31
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
GPCR/G protein
Immunology/Inflammation
Neuroscience
Neuronal Signaling
Target
H1 receptor
CYP3A4, HRH1
Histamine Receptor
Indication
allergic rhinitis, urticaria
MOA
Histamine Receptor antagonist
Source data
