General
Preferred name
rolapitant
Synonyms
Rolapitant HCl ()
ROLAPITANT HYDROCHLORIDE ()
Rolapitant (hydrochloride hydrate) ()
SCH619734 ()
SCH619734 (hydrochloride hydrate) ()
SCH-619734 ()
Varuby ()
Rolapitant hcl h20 ()
Varubi ()
Rolapitant hydrochloride monohydrate ()
P&D ID
PD009271
CAS
914462-92-3
552292-08-7
Tags
available
drug
Approved by
FDA
First approval
2015
Drug Status
investigational
approved
Drug indication
Chemotherapy-induced nausea
Max Phase
Phase 4
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()] ]]
Description
(extracted from source data)
INDICATION
This drug is indicated in adults in combination with other antiemetics for the prevention of delayed nausea and vomiting associated with emetogenic chemotherapy.
DESCRIPTION
Rolapitant is an orally available neurokinin-1 (NK1) receptor antagonist.
Rolapitant is example 72b in patents US20110098468 and US7049320 B2 . (GtoPdb)
Rolapitant is example 72b in patents US20110098468 and US7049320 B2 . (GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
0
Organisms
1
Compound Sets
18
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
NCATS Inxight Approved Drugs
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
52
Molecular Weight
500.19
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
2
cLogP
5.73
TPSA
50.36
Fraction CSP3
0.48
Chiral centers
3.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Neuroscience
GPCR/G protein
Neuronal Signaling
Target
NK1
Neurokinin Receptor
MOA
neurokinin receptor antagonist
Source data
