General
Preferred name
TOLVAPTAN
Synonyms
OPC-41061 ()
OPC-41061(TOLVAPTAN) ()
Jinarc ()
Samsca ()
Jynarque ()
Tolvaptan-d7 ()
P&D ID
PD010925
CAS
150683-30-0
1246818-18-7
Tags
natural product
drug
available
Approved by
PMDA
EMA
FDA
First approval
2009
Drug indication
Heart failure
Hyponatraemia
Drug Status
approved
Max Phase
Phase 4
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 Tolvaptan is a selective, competitive vasopressin receptor 2 (V2) antagonist. (GtoPdb)
DESCRIPTION Potent and selective vasopressin V2 receptor antagonist; renoprotective and orally active (Tocriscreen Plus)
DESCRIPTION Potent and selective EBI2 (GPR183) receptor antagonist (Tocris Bioactive Compound Library)
Compound Sets
30
AdooQ Bioactive Compound Library
A11594
Axon Medchem Screening Library
1591
Cayman Chemical Bioactives
19691
26301
26453
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
CHEMBL344159
ChEMBL Drugs
CHEMBL344159
Concise Guide to Pharmacology 2017/18
2226
Concise Guide to Pharmacology 2019/20
2226
Concise Guide to Pharmacology 2021/22
2226
Concise Guide to Pharmacology 2023/24
2226
DrugCentral
4110
DrugCentral Approved Drugs
4110
DrugMAP
DMIWFRL
DrugMAP Approved Drugs
DMIWFRL
DrugMatrix
Enamine BioReference Compounds
EUbOPEN Chemogenomics Library
Guide to Pharmacology
2226
Ki Database
OPC-41061
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL344159
Mcule NIBR MoA Box Subset
MCULE-6012608332
MedChem Express Bioactive Compound Library
HY-17000
NCATS Inxight Approved Drugs
21G72T1950
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
tolvaptan-opc-41061
TargetMol Bioactive Compound Library
T2326
Tocris Bioactive Compound Library
5181
Tocriscreen Plus
5181
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
448.16
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
5.68
TPSA
69.64
Fraction CSP3
0.23
Chiral centers
1.0
Largest ring
7.0
QED
0.54
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
7-TM Receptors
MOA
Vasopressin Receptor antagonist
Antagonist
antagonist of AVPR2
Target
Vasopressin V2 receptor
vasopressin receptor 1a
Vasopressin receptor 2
V2 antagonist
Vasopressin Receptor
Pathway
GPCR/G protein
Autophagy
Primary Target
Vasopressin Receptors
Member status
member
Source data