General
Preferred name
HET0016
Synonyms
P&D ID
PD020676
CAS
339068-25-6
Tags
available
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 HET0016 is a potent and selective 20-hydroxyeicosatetraenoic acid (20-HETE) synthase inhibitor, with IC50 values of 17.7 nM, 12.1 nM and 20.6 nM for recombinant CYP4A1-, CYP4A2- and CYP4A3-catalyzed 20-HETE synthesis, respectively. HET0016 also is a selective CYP450 inhibitor, which has been shown to inhibit angiogenesis and tumor growth[1][2].
PRICE 90
DESCRIPTION HET0016 is a potent and selective 20-HETE synthase inhibitor (IC50s: 17.7 nM, 12.1 nM, and 20.6 nM for recombinant CYP4A1-, CYP4A2-, and CYP4A3-catalyzed 20-HETE synthesis) and a selective CYP450 inhibitor, shown to inhibit angiogenesis and tumor growth.
DESCRIPTION HET0016 is a tool comound that is used to investigate CYP4 family enzymes. It is known to inhibit CYP4A11 and CYP4F enzymes. (GtoPdb)
DESCRIPTION 20-HETE is a selective inhibitor of 20-HETE synthesis, a second mitogenic messenger of angiogenesis inducing growth factors. It inhibits CYP4A to block the synthesis of 20-HETE, and suppresses the angiogenic responses to several growth factors. (BOC Sciences Bioactive Compounds)
Cell lines
0
Organisms
1
Compound Sets
8
BOC Sciences Bioactive Compounds
methanimidamide-n-4-butyl-2-methylphenyl-n-hydroxy-cas-339068-25-6-item-63496
Cayman Chemical Bioactives
75780
Concise Guide to Pharmacology 2021/22
11373
Concise Guide to Pharmacology 2023/24
11373
Guide to Pharmacology
11373
Mcule NIBR MoA Box Subset
MCULE-7632384387
MedChem Express Bioactive Compound Library
HY-124527
Novartis Chemogenetic Library (NIBR MoA Box)
External IDs
29
Properties
(calculated by RDKit )
Molecular Weight
206.14
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
1
cLogP
2.98
TPSA
44.62
Fraction CSP3
0.42
Chiral centers
0.0
Largest ring
6.0
QED
0.44
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Member status
member
MOA
20-HETE receptor antagonist
Target
Cytochrome P450
Pathway
Metabolic Enzyme/Protease
Source data