General
Preferred name
rolapitant
Synonyms
Rolapitant HCl ()
SCH619734 ()
ROLAPITANT HYDROCHLORIDE ()
Rolapitant (hydrochloride hydrate) ()
SCH619734 (hydrochloride hydrate) ()
SCH-619734 ()
VARUBY ()
Varubi ()
Rolapitant hydrochloride monohydrate ()
Rolapitant hcl h20 ()
P&D ID
PD009271
CAS
914462-92-3
552292-08-7
858102-79-1
Tags
available
drug
Approved by
FDA
First approval
2015
Drug indication
post operative nausea and vomiting
Chemotherapy-induced nausea and vomiting
Chemotherapy-induced nausea
Drug Status
approved
investigational
Max Phase
4.0
Structure
Probe scores
P&D probe-likeness score
[[ v.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)
DESCRIPTION Rolapitant (SCH619734) is a potent, selective, long-acting and orally active neurokinin 1 (NK1) receptor antagonist with a Ki of 0.66 nM. Rolapitant does not interact with CYP3A4. Rolapitant shows potent anti-emetic activity in a ferret emesis model[1][2].
PRICE 126
DESCRIPTION Rolapitant hydrochloride hydrate (SCH619734 hydrochloride hydrate) is a potent, selective, long-acting and orally active neurokinin 1 (NK1) receptor antagonist with a Ki of 0.66 nM. Rolapitant hydrochloride hydrate does not interact with CYP3A4. Rolapitant hydrochloride hydrate shows potent anti-emetic activity in a ferret emesis model[1][2].
PRICE 561
DESCRIPTION Rolapitant (SCH619734) Hydrochloride is the hydrochloride salt form of rolapitant, an orally bioavailable, centrally-acting, selective, neurokinin 1 receptor (NK1-receptor) antagonist with potential antiemetic activity. Upon oral administration, rolapitant competitively binds to and blocks the activity of the NK1-receptor in the central nervous system, thereby inhibiting the binding of the endogenous ligand, substance P (SP). This may prevent both SP-induced emesis and chemotherapy-induced nausea and vomiting (CINV). The interaction of SP with the NK1-receptor plays a key role in the induction of nausea and vomiting caused by emetogenic cancer chemotherapy. Compared to other NK1-receptor antagonists, rolapitant has both a more rapid onset of action and a much longer half-life. (TargetMol Bioactive Compound Library)
DESCRIPTION Rolapitant (SCH619734) hydrochloride is a potent, selective, long-acting, and orally active neurokinin 1 (NK1) receptor antagonist with a K_i of 0.66 nM, which does not interact with CYP3A4 and demonstrates potent centrally-mediated anti-emetic activity in both acute and delayed ferret emesis models [1] [2]. (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
19
AdooQ Bioactive Compound Library
A13680
Cayman Chemical Bioactives
23906
ChEMBL Approved Drugs
CHEMBL3707331
CHEMBL3707330
ChEMBL Drugs
CHEMBL3707331
CHEMBL3707330
Drug Repurposing Hub
DrugBank
DB09291
DrugBank Approved Drugs
DB09291
DrugCentral
5027
DrugCentral Approved Drugs
5027
DrugMAP
DM8XP26
DrugMAP Approved Drugs
DM8XP26
EU-OPENSCREEN Bioactive Compound Library
EOS100639
EUbOPEN Chemogenomics Library
EUB0000756
Guide to Pharmacology
5749
MedChem Express Bioactive Compound Library
HY-14751
HY-16436
NCATS Inxight Approved Drugs
NLE429IZUC
ReFrame library
Selleckchem Bioactive Compound Library
rolapitant
TargetMol Bioactive Compound Library
T3716
T3724
External IDs
56
Properties
(calculated by RDKit )
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)
Target
NK1
Neurokinin Receptor
MOA
neurokinin receptor antagonist
Pathway
GPCR/G protein
Neuroscience
Neuronal Signaling
Recommended Cell Concentration
None
Source data