General
Preferred name
NITISINONE
Synonyms
Nitisone ()
SC0735 ()
NTBC ()
NTBC, Nitisone, SC0735 ()
Nityr ()
SC-0735 ()
Orfadin ()
Nitisinone-13C6 ()
P&D ID
PD010088
CAS
104206-65-7
1246815-63-3
Tags
available
drug
Approved by
EMA
FDA
First approval
2002
Drug Status
investigational
approved
Drug indication
Hereditary tyrosinemia type 1
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 Inhibits 4-hydroxyphenylpyruvate dioxygenase (HPD) (GtoPdb)
Compound Sets
23
AdooQ Bioactive Compound Library
A11093
Cayman Chemical Bioactives
17924
28770
CeMM library of unique drugs (CLOUD)
ChEMBL Approved Drugs
CHEMBL1337
ChEMBL Drugs
CHEMBL1337
DrugBank
DB00348
DrugBank Approved Drugs
DB00348
DrugCentral
1944
DrugCentral Approved Drugs
1944
DrugMAP
DMVS9WQ
DrugMAP Approved Drugs
DMVS9WQ
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS101724
Guide to Pharmacology
6834
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL1337
Mcule NIBR MoA Box Subset
MCULE-6109734568
MedChem Express Bioactive Compound Library
HY-B0607
NCATS Inxight Approved Drugs
K5BN214699
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
ReFrame library
Selleckchem Bioactive Compound Library
nitisinone
TargetMol Bioactive Compound Library
T1684
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
329.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
1
cLogP
2.73
TPSA
94.35
Fraction CSP3
0.36
Chiral centers
0.0
Largest ring
6.0
QED
0.37
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Metabolic Enzyme/Protease
MOA
4-hydroxyphenylpyruvate dioxygenase inhibitor
4-Hydroxyphenylpyruvate Dioxygenase (4HPPD) Inhibitors
Target
4-hydroxyphenylpyruvate dioxygenase
HPPD
Member status
member
Therapeutic Class
Anticancer Agents
Source data