General
Preferred name
ALISKIREN
Synonyms
ALISKIREN HEMIFUMARATE ()
Aliskiren (D6 Hydrochloride) ()
CGP-60536 D6 Hydrochloride ()
ALISKIREN FUMARATE ()
CGP60536B ()
SPP 100 ()
CGP 60536 ()
CGP 60536 (D6 Hydrochloride) ()
CGP60536B (D6 Hydrochloride) ()
SPP 100 (D6 Hydrochloride) ()
Aliskiren (CGP 60536) ()
Aliskiren fumarate ()
Aliskiren (hemifumarate) ()
CGS-60536B ()
CGP 60536 (hemifumarate) ()
CGP60536B (hemifumarate) ()
SPP 100 (hemifumarate) ()
CGP 60536 hemifumarate, CGP60536B hemifumarate, SPP 100 hemifumarate ()
Aliskiren hemifumarate ()
NSC-759185 ()
SPP-100B ()
Tekturna ()
SPP100 ()
Rasilez ()
SPP-100 ()
Aliskiren-d6 (hemifumarate) ()
P&D ID
PD009402
CAS
173334-58-2
1327153-71-8
173334-57-1
Tags
natural product
drug
available
Approved by
EMA
FDA
First approval
2007
Drug Status
investigational
approved
withdrawn
Drug indication
Hypertension
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)
DESCRIPTION
Aliskiren is the first in class renin inhibitor. The Tekturna trade name refers to the hemi-fumarate: (PubChem CID 6918427). Ligand structure in PDB (see link)
(GtoPdb)
DESCRIPTION
Inosine monophosphatase dehydrogenase (IMPDH) inhibitor
(Tocris Bioactive Compound Library)
DESCRIPTION
Potent renin inhibitor; antihypertensive
(Tocriscreen Plus)
DESCRIPTION
Aliskiren hemifumarate appears to bind to both the hydrophobic S1/S3-binding pocket and to a large, distinct subpocket that extends from the S3-binding site towards the hydrophobic core of renin. Oral bioavailability of Aliskiren hemifumarate is 2.4% in rats, 16% in marmosets and about 2.5% in humans.
Aliskiren hemifumarate (< 10 mg/kg, oral) inhibits plasma renin activity and lowers blood pressure in sodium-depleted marmosets.Once-daily oral treatment with Aliskiren hemifumarate lowers blood pressure effectively, with a safety and tolerability profile, in patients with mild-to-moderate hypertension. (BOC Sciences Bioactive Compounds)
Aliskiren hemifumarate (< 10 mg/kg, oral) inhibits plasma renin activity and lowers blood pressure in sodium-depleted marmosets.Once-daily oral treatment with Aliskiren hemifumarate lowers blood pressure effectively, with a safety and tolerability profile, in patients with mild-to-moderate hypertension. (BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
36
AdooQ Bioactive Compound Library
BOC Sciences Bioactive Compounds
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
Mcule NIBR MoA Box Subset
NCATS Inxight Approved Drugs
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Other bioactive compounds
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocris Bioactive Compound Library
Tocriscreen Plus
Withdrawn 2.0
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
65
Molecular Weight
551.39
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
4
Rotatable Bonds
19
Ring Count
1
Aromatic Ring Count
1
cLogP
3.29
TPSA
146.13
Fraction CSP3
0.73
Chiral centers
4.0
Largest ring
6.0
QED
0.19
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Enzymes
Target
Renin
REN
RAAS
Pathway
Metabolic Enzyme/Protease
Endocrinology/Hormones
Autophagy
MOA
Renin inhibitor
Inhibitor
Renin Inhibitors
Primary Target
Other Proteases
Member status
virtual
Indication
hypertension
ATC
C09XA02
Therapeutic Class
Antihypertensive Agents
Source data
