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Compound Detail

CHEMBL3416703

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COC(=O)[C@H](CCCCN)NC(=O)c1ccc(N)c(N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3416703
Phase Preclinical
Structure Type MOL
InChI Key NWMMOGWPQJFLIW-LBPRGKRZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
0.25
ALogP
6
HBA
4
HBD
133.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H22N4O3
MW 294.36
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.19

Literature References

PubMed DOI Target Context # Activities
25635706 10.1021/jm501867s Endoplasmic reticulum aminopeptidase 1 1
25635706 10.1021/jm501867s Endoplasmic reticulum aminopeptidase 2 1
25635706 10.1021/jm501867s Leucyl-cystinyl aminopeptidase 1

Data from ChEMBL 36 via Core Engine