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Compound Detail

CHEMBL2179427

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N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)O

Basic Information

ChEMBL ID CHEMBL2179427
Phase Preclinical
Structure Type BOTH
InChI Key YRFVDMSYFVWLJK-AQRCPPRCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

906.1
MW (Da)
-4.56
ALogP
13
HBA
17
HBD
451.1
PSA (Ų)
0.02
QED
3
Ro5 Violations
33
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H67N15O10
MW 906.06
Aromatic Rings 1
Heavy Atoms 64
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
23126600 10.1021/jm3011178 Furin 1
23126600 10.1021/jm3011178 Proprotein convertase subtilisin/kexin type 6 1
23126600 10.1021/jm3011178 Unchecked 1

Data from ChEMBL 36 via Core Engine