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Compound Detail

CHEMBL4760569

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CC(C)C[C@H](N)C(N)=O.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4760569
Phase Preclinical
Structure Type MOL
InChI Key VSPSRRBIXFUMOU-JEDNCBNOSA-N
Parent Compound CHEMBL598548
Active Moiety CHEMBL598548
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

130.2
MW (Da)
-0.15
ALogP
2
HBA
2
HBD
69.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H15ClN2O
MW 166.65
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
27624080 10.1016/j.bmcl.2016.09.001 Large neutral amino acids transporter small subunit 1 2

Data from ChEMBL 36 via Core Engine