General
Preferred name
NETUPITANT
Synonyms
Netupitant D6 ()
CID-6451149 D6 ()
CID 6451149 ()
Ro 67-31898/000 ()
CID6451149, CID 6451149, CID-6451149 ()
RO-67-3189 ()
RO 67-3189/000 ()
Ro-673189000 ()
Netupitant-d6 ()
P&D ID
PD009391
CAS
290297-26-6
2070015-31-3
Tags
available
drug
Approved by
EMA
FDA
First approval
2014
Drug Status
investigational
approved
Drug indication
Chemotherapy-induced nausea
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 Netupitant is a selective tachykinin receptor 1 (NK1) receptor antagonist. (GtoPdb)
Compound Sets
18
AdooQ Bioactive Compound Library
A14428
Axon Medchem Screening Library
2499
Cayman Chemical Bioactives
28901
ChEMBL Approved Drugs
CHEMBL206253
ChEMBL Drugs
CHEMBL206253
Drug Repurposing Hub
DrugBank
DB09048
DrugBank Approved Drugs
DB09048
DrugCentral
4898
DrugCentral Approved Drugs
4898
DrugMAP
DMEKAYI
Guide to Pharmacology
5742
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL206253
MedChem Express Bioactive Compound Library
HY-16346
NCATS Inxight Approved Drugs
7732P08TIR
ReFrame library
Selleckchem Bioactive Compound Library
netupitant
TargetMol Bioactive Compound Library
T6905
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
578.25
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
3
cLogP
6.79
TPSA
39.68
Fraction CSP3
0.4
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)
Target
Neurokinin Receptor
NK1
TACR1
NK1 antagonist
Pathway
Neuronal Signaling
GPCR/G protein
Neuroscience
MOA
Neurokinin 1
tachykinin antagonist
Indication
nausea, vomiting
Source data