General
Preferred name
NELIVAPTAN
Synonyms
SSR 149415 ()
SSR149415 ()
[3H]nelivaptan ()
SSR-149415 ()
SSR-149,415 ()
SR-149415 ()
[3H]nelivaptan ()
P&D ID
PD016859
CAS
439687-69-1
352276-92-7
Tags
drug candidate
natural product
available
Drug indication
Major depressive disorder
Discovery agent
Anxiety disorder
Drug Status
investigational
Max Phase
Phase 2
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 Selective high affinity human sst4 agonist (Tocris Bioactive Compound Library)
DESCRIPTION SSR 149415 is a potent and orally available vasopressin V1B antagonist (Ki = 3.7 and 1.3 nM for native and recombinant rat V1b receptors, respectively), displaying >70-fold selectively for rat V1B over V1A, V2 oxytoxin and a range of other receptors and ion channels. SSR 149415 has been shown to inhibit stress-induced ACTH release and exhibit anxiolytic-like effects in anxiety models, therefore it is identified as a drug candidate for the treatment of anxiety and depression. (BOC Sciences Bioactive Compounds)
Compound Sets
16
Axon Medchem Screening Library
1114
BOC Sciences Bioactive Compounds
ssr-149415-cas-439687-69-1-item-459179
ChEMBL Drugs
CHEMBL582857
Concise Guide to Pharmacology 2017/18
2202
Concise Guide to Pharmacology 2019/20
2202
Concise Guide to Pharmacology 2021/22
2202
Concise Guide to Pharmacology 2023/24
2202
DrugBank
DB12643
DrugMAP
DMCMD93
DM0163O
Guide to Pharmacology
2202
3483
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL582857
MedChem Express Bioactive Compound Library
HY-10066
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
Tocris Bioactive Compound Library
6195
ZINC Tool Compounds
ZINC000042833251
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
629.16
Hydrogen Bond Acceptors
9
Hydrogen Bond Donors
1
Rotatable Bonds
8
Ring Count
5
Aromatic Ring Count
3
cLogP
2.87
TPSA
125.92
Fraction CSP3
0.33
Chiral centers
3.0
Largest ring
6.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
Vasopressin Receptors
MOA
Antagonist
DNA-Directed RNA Polymerase Inhibitors
Member status
member
Target
V1b antagonist
Vasopressin Receptor
Pathway
GPCR/G protein
Source data