MLN-4760

Ligand id: 7866

Name: MLN-4760

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 104.45
Molecular weight 427.11
XLogP 3.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S)-2-[[(2S)-3-[3-[(3,5-dichlorophenyl)methyl]imidazol-4-yl]-1-hydroxy-1-oxopropan-2-yl]amino]-4-methylpentanoic acid
Synonyms
MLN 4760 | MLN4760
Database Links
CAS Registry No. 305335-31-3 (source: Scifinder)
ChEMBL Ligand CHEMBL429844
PubChem CID 448281
RCSB PDB Ligand XX5
Search Google for chemical match using the InChIKey NTCCRGGIJNDEAB-IRXDYDNUSA-N
Search Google for chemicals with the same backbone NTCCRGGIJNDEAB
Search UniChem for chemical match using the InChIKey NTCCRGGIJNDEAB-IRXDYDNUSA-N
Search UniChem for chemicals with the same backbone NTCCRGGIJNDEAB
SynPHARM 80713 (in complex with Angiotensin-converting enzyme 2)
Comments
ACE2 inhibitor used for animal functional studies.