General
Preferred name
ORE-1001
Synonyms
MLN-4760 ()
MLN 4760 ()
MLN4760 ()
ORE-1001 FREE ACID ()
Ore1001 ()
Gl-1001 ()
GL1001 ()
P&D ID
PD048611
CAS
305335-31-3
1315337-39-3
Tags
drug candidate
natural product
available
Drug indication
Type-2 diabetes
Diabetic complication
Drug Status
investigational
Max Phase
1.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION This si a small molecule ACE2 inhibitor that is suitable for use in animal functional studies. MLN-4760 and the ACE2 peptide inhibitor have been used to explore the therapeutic potential of ACE2 inhibition in (animal models of) human irritable bowel disease. (GtoPdb)
DESCRIPTION Potent ErbB receptor family inhibitor (Tocris Bioactive Compound Library)
Compound Sets
14
AdooQ Bioactive Compound Library
A16884
Cayman Chemical Bioactives
31327
ChEMBL Drugs
CHEMBL429844
Concise Guide to Pharmacology 2021/22
7866
Concise Guide to Pharmacology 2023/24
7866
Drug Repurposing Hub
DrugBank
DB12271
DrugMAP
DM471ZH
Guide to Pharmacology
7866
MedChem Express Bioactive Compound Library
HY-19414
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
TargetMol Bioactive Compound Library
T16116
Tocris Bioactive Compound Library
3345
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
427.11
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
2
cLogP
3.32
TPSA
104.45
Fraction CSP3
0.42
Chiral centers
2.0
Largest ring
6.0
QED
0.54
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Endocrinology/Hormones
Metabolic Enzyme/Protease
Target
Human ACE2
Angiotensin-converting Enzyme (ACE)
Primary Target
ACE2
MOA
Inhibitor
Angiotensin-I Converting Enzyme-Related Carboxypeptidase (ACE2) Inhibitors
angiotensin converting enzyme inhibitor
Member status
member
Source data